Isoxazole-5-carbonyl chloride
TL;DR: Isoxazole-5-carbonyl chloride (CAS 62348-13-4) is a chemical compound with molecular formula C4H2ClNO2 and molecular weight 130.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-oxazole-5-carbonyl chloride
Also Known As: Isoxazole-5-carbonyl chloride, 1,2-oxazole-5-carbonyl chloride, 5-isoxazolecarbonyl chloride, Isoxazole-5-carbonylchloride, 5-Isoxazolecarbonylchloride
| Molecular Formula | C4H2ClNO2 |
|---|---|
| Molecular Weight | 130.98 g/mol |
| LogP | 1.0536 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.9774 |
| Heavy Atoms | 8 |
| Complexity | 181.92819 |
Chemical Identifiers
| CAS Number | 62348-13-4 |
|---|---|
| SMILES | C1=C(ON=C1)C(=O)Cl |
Product Overview
Isoxazole-5-carbonyl chloride (CAS 62348-13-4), with molecular formula C4H2ClNO2 and molecular weight 130.98 g/mol. IUPAC: 1,2-oxazole-5-carbonyl chloride.
Chemical Property Profile of Isoxazole-5-carbonyl chloride
Property Insights of Isoxazole-5-carbonyl chloride
The XLogP value of 1.0536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole-5-carbonyl chloride. With a topological polar surface area (TPSA) of 43.1 Ų, Isoxazole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole-5-carbonyl chloride has 0 hydrogen bond donor(s) and 3 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 Isoxazole-5-carbonyl chloride?
The CAS number of Isoxazole-5-carbonyl chloride is 62348-13-4.
What is the molecular formula of Isoxazole-5-carbonyl chloride?
The molecular formula of Isoxazole-5-carbonyl chloride is C4H2ClNO2.
What is the molecular weight of Isoxazole-5-carbonyl chloride?
The molecular weight of Isoxazole-5-carbonyl chloride is 130.98 g/mol.
Where can I buy Isoxazole-5-carbonyl chloride?
You can request a quote for Isoxazole-5-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.