3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate
TL;DR: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate (CAS 858752-59-7) is a chemical compound with molecular formula C22H23NO6S and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,7-trimethyl-2-oxochromen-5-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate, (3,4,7-trimethyl-2-oxochromen-5-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
| Molecular Formula | C22H23NO6S |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.30068 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.1246 |
| Heavy Atoms | 30 |
| Complexity | 1273.7109 |
Chemical Identifiers
| CAS Number | 858752-59-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC(=CC3=C2C(=C(C(=O)O3)C)C)C |
Product Overview
3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate (CAS 858752-59-7), with molecular formula C22H23NO6S and molecular weight 429.12 g/mol. IUPAC: (3,4,7-trimethyl-2-oxochromen-5-yl) 3-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate
Property Insights of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate
The XLogP value of 3.30068 indicates that 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate. Following Lipinski's Rule of Five, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate?
The CAS number of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate is 858752-59-7.
What is the molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate?
The molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate is C22H23NO6S.
What is the molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate?
The molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate is 429.12 g/mol.
Where can I buy 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate?
You can request a quote for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 3-(4-methylphenylsulfonamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.