1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone
TL;DR: 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone (CAS 478080-17-0) is a chemical compound with molecular formula C10H6ClNO3S and molecular weight 254.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chlorothiophene-2-carbonyl)-1,2-oxazol-3-yl]ethanone
Also Known As: 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone, 1-{4-[(3-chloro-2-thienyl)carbonyl]-3-isoxazolyl}-1-ethanone, 8J-911, 1-[4-(3-chlorothiophene-2-carbonyl)-1,2-oxazol-3-yl]ethanone, 1-[4-(3-chlorothiophene-2-carbonyl)-1,2-oxazol-3-yl]ethan-1-one
| Molecular Formula | C10H6ClNO3S |
|---|---|
| Molecular Weight | 254.98 g/mol |
| LogP | 2.8231 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.9757 |
| Heavy Atoms | 16 |
| Complexity | 557.92004 |
Chemical Identifiers
| CAS Number | 478080-17-0 |
|---|---|
| SMILES | CC(=O)C1=NOC=C1C(=O)C2=C(C=CS2)Cl |
Product Overview
1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone (CAS 478080-17-0), with molecular formula C10H6ClNO3S and molecular weight 254.98 g/mol. IUPAC: 1-[4-(3-chlorothiophene-2-carbonyl)-1,2-oxazol-3-yl]ethanone.
Chemical Property Profile of 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone
Property Insights of 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone
The XLogP value of 2.8231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone. The TPSA of 60.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone. Following Lipinski's Rule of Five, 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone 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 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone?
The CAS number of 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone is 478080-17-0.
What is the molecular formula of 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone?
The molecular formula of 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone is C10H6ClNO3S.
What is the molecular weight of 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone?
The molecular weight of 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone is 254.98 g/mol.
Where can I buy 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone?
You can request a quote for 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-((3-Chloro-2-thienyl)carbonyl)-3-isoxazolyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.