![3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one structure](/static/products/6944/694488-08-9.webp)
3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one
TL;DR: 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one (CAS 694488-08-9) is a chemical compound with molecular formula C17H11ClO3S and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)sulfanylacetyl]chromen-2-one
Also Known As: 3-[2-(4-chlorophenyl)sulfanylacetyl]chromen-2-one, 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one, AB00335665-04
| Molecular Formula | C17H11ClO3S |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 4.4214 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.01175 |
| Heavy Atoms | 22 |
| Complexity | 884.2947 |
Chemical Identifiers
| CAS Number | 694488-08-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=CC=C(C=C3)Cl |
Product Overview
3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one (CAS 694488-08-9), with molecular formula C17H11ClO3S and molecular weight 330.01 g/mol. IUPAC: 3-[2-(4-chlorophenyl)sulfanylacetyl]chromen-2-one.
Chemical Property Profile of 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one
Property Insights of 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one
The XLogP value of 4.4214 indicates that 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one has 0 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 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one?
The CAS number of 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one is 694488-08-9.
What is the molecular formula of 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one?
The molecular formula of 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one is C17H11ClO3S.
What is the molecular weight of 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one?
The molecular weight of 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one is 330.01 g/mol.
Where can I buy 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one?
You can request a quote for 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-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 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-chlorophenyl)sulfanyl]acetyl}-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.