![3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate structure](/static/products/3712/371201-69-3.webp)
3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
TL;DR: 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate (CAS 371201-69-3) is a chemical compound with molecular formula C26H22FNO6S and molecular weight 495.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
Also Known As: 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate, 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 3-(4-methylphenylsulfonamido)propanoate, [3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
| Molecular Formula | C26H22FNO6S |
|---|---|
| Molecular Weight | 495.12 g/mol |
| LogP | 4.48994 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.11517 |
| Heavy Atoms | 35 |
| Complexity | 1559.0151 |
Chemical Identifiers
| CAS Number | 371201-69-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=C(C=C4)F |
Product Overview
3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate (CAS 371201-69-3), with molecular formula C26H22FNO6S and molecular weight 495.12 g/mol. IUPAC: [3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate.
Chemical Property Profile of 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
Property Insights of 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate
The XLogP value of 4.48994 indicates that 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate 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-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate 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-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The CAS number of 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is 371201-69-3.
What is the molecular formula of 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The molecular formula of 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is C26H22FNO6S.
What is the molecular weight of 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
The molecular weight of 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate is 495.12 g/mol.
Where can I buy 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
You can request a quote for 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.