(S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
TL;DR: (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate (CAS 956040-74-7) is a chemical compound with molecular formula C21H26ClNO6S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
Also Known As: (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-L-methioninate, (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C21H26ClNO6S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 4.61504 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.11694 |
| Heavy Atoms | 30 |
| Complexity | 1011.1944 |
Chemical Identifiers
| CAS Number | 956040-74-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C |
Product Overview
(S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate (CAS 956040-74-7), with molecular formula C21H26ClNO6S and molecular weight 455.12 g/mol. IUPAC: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
Property Insights of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
The XLogP value of 4.61504 indicates that (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The CAS number of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is 956040-74-7.
What is the molecular formula of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The molecular formula of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is C21H26ClNO6S.
What is the molecular weight of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The molecular weight of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is 455.12 g/mol.
Where can I buy (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
You can request a quote for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.