3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate
TL;DR: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate (CAS 1396964-91-2) is a chemical compound with molecular formula C20H18ClNO6S and molecular weight 435.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate, (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-[(4-methylbenzene)sulfonamido]propanoate
| Molecular Formula | C20H18ClNO6S |
|---|---|
| Molecular Weight | 435.05 g/mol |
| LogP | 3.33564 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.05432 |
| Heavy Atoms | 29 |
| Complexity | 1248.4419 |
Chemical Identifiers
| CAS Number | 1396964-91-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)Cl)C |
Product Overview
3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate (CAS 1396964-91-2), with molecular formula C20H18ClNO6S and molecular weight 435.05 g/mol. IUPAC: (3-chloro-4-methyl-2-oxochromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate
Property Insights of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate
The XLogP value of 3.33564 indicates that 3-chloro-4-methyl-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 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate. Following Lipinski's Rule of Five, 3-chloro-4-methyl-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 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
The CAS number of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate is 1396964-91-2.
What is the molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
The molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate is C20H18ClNO6S.
What is the molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
The molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate is 435.05 g/mol.
Where can I buy 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
You can request a quote for 3-chloro-4-methyl-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 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.