3-chloro-5-phenylIsoxazole
TL;DR: 3-chloro-5-phenylIsoxazole (CAS 31329-61-0) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-phenyl-1,2-oxazole
Also Known As: 3-chloro-5-phenylIsoxazole, 3-chloro-5-phenyl-1,2-oxazole, Isoxazole, 3-chloro-5-phenyl-, 5-phenyl-3-chloroisoxazole, 3-chloro-5-phenyl-isoxazole
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.995 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 369.02737 |
Chemical Identifiers
| CAS Number | 31329-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NO2)Cl |
Product Overview
3-chloro-5-phenylIsoxazole (CAS 31329-61-0), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 3-chloro-5-phenyl-1,2-oxazole.
Chemical Property Profile of 3-chloro-5-phenylIsoxazole
Property Insights of 3-chloro-5-phenylIsoxazole
The XLogP value of 2.995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-5-phenylIsoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 3-chloro-5-phenylIsoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-5-phenylIsoxazole has 0 hydrogen bond donor(s) and 2 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-chloro-5-phenylIsoxazole?
The CAS number of 3-chloro-5-phenylIsoxazole is 31329-61-0.
What is the molecular formula of 3-chloro-5-phenylIsoxazole?
The molecular formula of 3-chloro-5-phenylIsoxazole is C9H6ClNO.
What is the molecular weight of 3-chloro-5-phenylIsoxazole?
The molecular weight of 3-chloro-5-phenylIsoxazole is 179.01 g/mol.
Where can I buy 3-chloro-5-phenylIsoxazole?
You can request a quote for 3-chloro-5-phenylIsoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-5-phenylIsoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-5-phenylIsoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.