3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate
TL;DR: 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate (CAS 6366-96-7) is a chemical compound with molecular formula C17H14O7S and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] methanesulfonate
Also Known As: BIM-0031878.P001, AP-906/40928160, 3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl methanesulfonate, 3-(4-methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate, [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] methanesulfonate
| Molecular Formula | C17H14O7S |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 2.9323 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.04602 |
| Heavy Atoms | 25 |
| Complexity | 1066.3418 |
Chemical Identifiers
| CAS Number | 6366-96-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C |
Product Overview
3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate (CAS 6366-96-7), with molecular formula C17H14O7S and molecular weight 362.05 g/mol. IUPAC: [3-(4-methoxyphenoxy)-4-oxochromen-7-yl] methanesulfonate.
Chemical Property Profile of 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate
Property Insights of 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate
The XLogP value of 2.9323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate. Following Lipinski's Rule of Five, 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate has 0 hydrogen bond donor(s) and 7 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-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate?
The CAS number of 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate is 6366-96-7.
What is the molecular formula of 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate?
The molecular formula of 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate is C17H14O7S.
What is the molecular weight of 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate?
The molecular weight of 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate is 362.05 g/mol.
Where can I buy 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate?
You can request a quote for 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenoxy)-4-oxochromen-7-yl methylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.