(4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate
TL;DR: (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate (CAS 6631-52-3) is a chemical compound with molecular formula C16H11ClO5S and molecular weight 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate
Also Known As: (4-methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate, AB01324987-02, AF-399/40881465, 4-methyl-2-oxo-2H-chromen-7-yl4-chlorobenzenesulfonate, 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-chlorobenzene-1-sulfonate
| Molecular Formula | C16H11ClO5S |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 3.52252 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0016 |
| Heavy Atoms | 23 |
| Complexity | 1036.2488 |
Chemical Identifiers
| CAS Number | 6631-52-3 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
(4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate (CAS 6631-52-3), with molecular formula C16H11ClO5S and molecular weight 350.00 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate.
Chemical Property Profile of (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate
Property Insights of (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate
The XLogP value of 3.52252 indicates that (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate?
The CAS number of (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate is 6631-52-3.
What is the molecular formula of (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate?
The molecular formula of (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate is C16H11ClO5S.
What is the molecular weight of (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate?
The molecular weight of (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate is 350.00 g/mol.
Where can I buy (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate?
You can request a quote for (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.