(S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate
TL;DR: (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate (CAS 1173686-68-4) is a chemical compound with molecular formula C21H20ClNO6S and molecular weight 449.07 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-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-alaninate, (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
| Molecular Formula | C21H20ClNO6S |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 3.64406 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.06998 |
| Heavy Atoms | 30 |
| Complexity | 1295.8065 |
Chemical Identifiers
| CAS Number | 1173686-68-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)C)C)Cl |
Product Overview
(S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate (CAS 1173686-68-4), with molecular formula C21H20ClNO6S and molecular weight 449.07 g/mol. IUPAC: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate
Property Insights of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate
The XLogP value of 3.64406 indicates that (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 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-(4-methylphenylsulfonamido)propanoate. Following Lipinski's Rule of Five, (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate has 1 hydrogen bond donor(s) and 6 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-(4-methylphenylsulfonamido)propanoate?
The CAS number of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate is 1173686-68-4.
What is the molecular formula of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
The molecular formula of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate is C21H20ClNO6S.
What is the molecular weight of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
The molecular weight of (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate is 449.07 g/mol.
Where can I buy (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
You can request a quote for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate 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-(4-methylphenylsulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.