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(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethylbutanamide

(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethylbutanamide - CAS 1374450-09-5

Name: (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethylbutanamide
Brand: BOC Sciences
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Catalog Number

BCC-04689

CAS

1374450-09-5

Synonyms

(2S)-2-[[[[3,5-bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethyl-Butanamide

Molecular Weight

707.77

Molecular Formula

C₃₅H₃₉F₆N₅O₂S

Product Information

Canonical SMILES

COC(C=C1)=CC(C1=NC=C2)=C2[C@H](NC([C@H](C(C)(C)C)NC(NC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=S)=O)[C@@]4(C[C@@H]5CC[N@]4C[C@@H]5C=C)[H]

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light, stored under nitrogen

Safety Information

GHS No

GHS07

Signal Word

Warning

Precautionary Statement

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Hazard Statements

H302-H315-H319-H335

Physicochemical Properties

Num. rotatable bonds

Num. H-bond acceptors

Num. H-bond donors

TPSA

78.52

LogP

7.736

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethylbutanamide - CAS 1374450-09-5

Product Information

Safety Information

Physicochemical Properties

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