Home
Chiral Compounds
Chiral Ligands
Chiral Oxazoline Ligands
(S)-N-(2-(4-(tert-Butyl)-4,5-dihydrooxazol-2-yl)phenyl)-1-phenylmethanesulfonamide

(S)-N-(2-(4-(tert-Butyl)-4,5-dihydrooxazol-2-yl)phenyl)-1-phenylmethanesulfonamide - CAS 784194-02-1

Name: (S)-N-(2-(4-(tert-Butyl)-4,5-dihydrooxazol-2-yl)phenyl)-1-phenylmethanesulfonamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Catalog Number

BCC-03935

CAS

784194-02-1

Molecular Weight

372.48

Molecular Formula

C20H24N2O3S

Product Information

Canonical SMILES

O=S(CC1=CC=CC=C1)(NC2=CC=CC=C2C3=N[C@@H](C(C)(C)C)CO3)=O

InChI Key

GQHRAPQXHMIKDO-GOSISDBHSA-N

MDL

MFCD30536247

Solubility

Poorly soluble in Water

Safety Information

Signal Word

Warning

Precautionary Statement

P280-P305+P351+P338

Hazard Statements

H302

Physicochemical Properties

Num. heavy atoms

Num. arom. heavy atoms

Fraction Csp3

0.35

Num. rotatable bonds

Num. H-bond acceptors

4.0

Num. H-bond donors

1.0

Molar Refractivity

108.73

TPSA

76.14 Å²

Lipophilicity

Log Po/w (iLOGP)

3.19

Log Po/w (XLOGP3)

3.68

Log Po/w (WLOGP)

4.18

Log Po/w (MLOGP)

2.83

Log Po/w (SILICOS-IT)

3.73

Consensus Log Po/w

3.52

Pharmacokinetics

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 Inhibitor

Yes

Log Kp (skin permeation)

-5.96 cm/s

Pharmacokinetics

Lipinski

0.0

Ghose

None

Veber

0.0

Egan

0.0

Muegge

0.0

Bioavailability Score

0.55

Medicinal Chemistry

PAINS

0.0 alert

Brenk

0.0 alert: heavy_metal

Leadlikeness

No; 1 violation:MW<2.0

Synthetic Accessibility

4.26

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

(S)-N-(2-(4-(tert-Butyl)-4,5-dihydrooxazol-2-yl)phenyl)-1-phenylmethanesulfonamide - CAS 784194-02-1

Product Information

Safety Information

Physicochemical Properties

Lipophilicity

Pharmacokinetics

Pharmacokinetics

Medicinal Chemistry

Related Products