7-Methoxy-4-(sulfanylmethyl)chromen-2-one
TL;DR: 7-Methoxy-4-(sulfanylmethyl)chromen-2-one (CAS 501002-57-9) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-4-(sulfanylmethyl)chromen-2-one
Also Known As: 7-methoxy-4-mercaptomethylcoumarin, 7-methoxy-4-(sulfanylmethyl)chromen-2-one
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 36.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 501002-57-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=CC(=O)O2)CS |
| InChIKey | TXVRUYVCAOZKOT-UHFFFAOYSA-N |
Product Overview
7-Methoxy-4-(sulfanylmethyl)chromen-2-one (CAS 501002-57-9), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: 7-methoxy-4-(sulfanylmethyl)chromen-2-one.
Chemical Property Profile of 7-Methoxy-4-(sulfanylmethyl)chromen-2-one
Property Insights of 7-Methoxy-4-(sulfanylmethyl)chromen-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-4-(sulfanylmethyl)chromen-2-one. With a topological polar surface area (TPSA) of 36.5 Ų, 7-Methoxy-4-(sulfanylmethyl)chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-4-(sulfanylmethyl)chromen-2-one has 1 hydrogen bond donor(s) and 4 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 7-Methoxy-4-(sulfanylmethyl)chromen-2-one?
The CAS number of 7-Methoxy-4-(sulfanylmethyl)chromen-2-one is 501002-57-9.
What is the molecular formula of 7-Methoxy-4-(sulfanylmethyl)chromen-2-one?
The molecular formula of 7-Methoxy-4-(sulfanylmethyl)chromen-2-one is C11H10O3S.
What is the molecular weight of 7-Methoxy-4-(sulfanylmethyl)chromen-2-one?
The molecular weight of 7-Methoxy-4-(sulfanylmethyl)chromen-2-one is 222.04 g/mol.
Where can I buy 7-Methoxy-4-(sulfanylmethyl)chromen-2-one?
You can request a quote for 7-Methoxy-4-(sulfanylmethyl)chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-4-(sulfanylmethyl)chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-4-(sulfanylmethyl)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.