5-(2-Furyl)isoxazole-3-carbonyl chloride
TL;DR: 5-(2-Furyl)isoxazole-3-carbonyl chloride (CAS 88958-33-2) is a chemical compound with molecular formula C8H4ClNO3 and molecular weight 196.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
Also Known As: 5-(2-furyl)isoxazole-3-carbonyl chloride, 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride, 5-(Furan-2-yl)isoxazole-3-carbonyl chloride, 5-(Fur-2-yl)isoxazole-3-carbonyl chloride, 3-Isoxazolecarbonylchloride, 5-(2-furanyl)-
| Molecular Formula | C8H4ClNO3 |
|---|---|
| Molecular Weight | 196.99 g/mol |
| LogP | 2.3136 |
| Topological Polar Surface Area | 56.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.98798 |
| Heavy Atoms | 13 |
| Complexity | 418.29083 |
Chemical Identifiers
| CAS Number | 88958-33-2 |
|---|---|
| SMILES | C1=COC(=C1)C2=CC(=NO2)C(=O)Cl |
Product Overview
5-(2-Furyl)isoxazole-3-carbonyl chloride (CAS 88958-33-2), with molecular formula C8H4ClNO3 and molecular weight 196.99 g/mol. IUPAC: 5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride.
Chemical Property Profile of 5-(2-Furyl)isoxazole-3-carbonyl chloride
Property Insights of 5-(2-Furyl)isoxazole-3-carbonyl chloride
The XLogP value of 2.3136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Furyl)isoxazole-3-carbonyl chloride. With a topological polar surface area (TPSA) of 56.24 Ų, 5-(2-Furyl)isoxazole-3-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Furyl)isoxazole-3-carbonyl 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-Furyl)isoxazole-3-carbonyl chloride?
The CAS number of 5-(2-Furyl)isoxazole-3-carbonyl chloride is 88958-33-2.
What is the molecular formula of 5-(2-Furyl)isoxazole-3-carbonyl chloride?
The molecular formula of 5-(2-Furyl)isoxazole-3-carbonyl chloride is C8H4ClNO3.
What is the molecular weight of 5-(2-Furyl)isoxazole-3-carbonyl chloride?
The molecular weight of 5-(2-Furyl)isoxazole-3-carbonyl chloride is 196.99 g/mol.
Where can I buy 5-(2-Furyl)isoxazole-3-carbonyl chloride?
You can request a quote for 5-(2-Furyl)isoxazole-3-carbonyl 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-Furyl)isoxazole-3-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Furyl)isoxazole-3-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.