methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate
TL;DR: methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate (CAS 895645-53-1) is a chemical compound with molecular formula C17H12O6S and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(benzenesulfonyl)-2-oxochromene-6-carboxylate
Also Known As: ChemDiv3_014743, methyl 3-(benzenesulfonyl)-2-oxo-2H-chromene-6-carboxylate, methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate, IDI1_030541, methyl 3-(benzenesulfonyl)-2-oxochromene-6-carboxylate
| Molecular Formula | C17H12O6S |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 2.4124 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.03546 |
| Heavy Atoms | 24 |
| Complexity | 1081.0139 |
Chemical Identifiers
| CAS Number | 895645-53-1 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate (CAS 895645-53-1), with molecular formula C17H12O6S and molecular weight 344.04 g/mol. IUPAC: methyl 3-(benzenesulfonyl)-2-oxochromene-6-carboxylate.
Chemical Property Profile of methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate
Property Insights of methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate
The XLogP value of 2.4124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate. Following Lipinski's Rule of Five, methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate has 0 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 methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate?
The CAS number of methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate is 895645-53-1.
What is the molecular formula of methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate?
The molecular formula of methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate is C17H12O6S.
What is the molecular weight of methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate?
The molecular weight of methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate is 344.04 g/mol.
Where can I buy methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate?
You can request a quote for methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-oxo-3-(phenylsulfonyl)-2H-chromene-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.