5-(2-Thienyl)-3-isoxazolecarbonyl chloride
TL;DR: 5-(2-Thienyl)-3-isoxazolecarbonyl chloride (CAS 88958-34-3) is a chemical compound with molecular formula C8H4ClNO2S and molecular weight 212.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thiophen-2-yl-1,2-oxazole-3-carbonyl chloride
Also Known As: 5-(2-THIENYL)-3-ISOXAZOLECARBONYL CHLORIDE, 3-Isoxazolecarbonylchloride, 5-(2-thienyl)-, 5-thiophen-2-yl-1,2-oxazole-3-carbonyl chloride, 5- -3-ISOXAZOLECARBONYLCHLORIDE, 5-(Thiophen-2-yl)isoxazole-3-carbonyl chloride
| Molecular Formula | C8H4ClNO2S |
|---|---|
| Molecular Weight | 212.97 g/mol |
| LogP | 2.7821 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.96513 |
| Heavy Atoms | 13 |
| Complexity | 421.04572 |
Chemical Identifiers
| CAS Number | 88958-34-3 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC(=NO2)C(=O)Cl |
Product Overview
5-(2-Thienyl)-3-isoxazolecarbonyl chloride (CAS 88958-34-3), with molecular formula C8H4ClNO2S and molecular weight 212.97 g/mol. IUPAC: 5-thiophen-2-yl-1,2-oxazole-3-carbonyl chloride.
Chemical Property Profile of 5-(2-Thienyl)-3-isoxazolecarbonyl chloride
Property Insights of 5-(2-Thienyl)-3-isoxazolecarbonyl chloride
The XLogP value of 2.7821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Thienyl)-3-isoxazolecarbonyl chloride. With a topological polar surface area (TPSA) of 43.1 Ų, 5-(2-Thienyl)-3-isoxazolecarbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Thienyl)-3-isoxazolecarbonyl chloride 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 5-(2-Thienyl)-3-isoxazolecarbonyl chloride?
The CAS number of 5-(2-Thienyl)-3-isoxazolecarbonyl chloride is 88958-34-3.
What is the molecular formula of 5-(2-Thienyl)-3-isoxazolecarbonyl chloride?
The molecular formula of 5-(2-Thienyl)-3-isoxazolecarbonyl chloride is C8H4ClNO2S.
What is the molecular weight of 5-(2-Thienyl)-3-isoxazolecarbonyl chloride?
The molecular weight of 5-(2-Thienyl)-3-isoxazolecarbonyl chloride is 212.97 g/mol.
Where can I buy 5-(2-Thienyl)-3-isoxazolecarbonyl chloride?
You can request a quote for 5-(2-Thienyl)-3-isoxazolecarbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Thienyl)-3-isoxazolecarbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Thienyl)-3-isoxazolecarbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.