4-(4-Chlorophenyl)-5-isoxazolamine
TL;DR: 4-(4-Chlorophenyl)-5-isoxazolamine (CAS 64047-49-0) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1,2-oxazol-5-amine
Also Known As: 4-(4-chlorophenyl)isoxazol-5-amine, 4-(4-Chloro-phenyl)-isoxazol-5-ylamine, 4-(4-chlorophenyl)-5-isoxazolamine, USAF EL-65, 4-(4-chlorophenyl)-1,2-oxazol-5-amine
| Molecular Formula | C9H7ClN2O |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.02469 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 64047-49-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(ON=C2)N)Cl |
| InChIKey | GWZGFUKSSKIWAP-UHFFFAOYSA-N |
Product Overview
4-(4-Chlorophenyl)-5-isoxazolamine (CAS 64047-49-0), with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol. IUPAC: 4-(4-chlorophenyl)-1,2-oxazol-5-amine.
Chemical Property Profile of 4-(4-Chlorophenyl)-5-isoxazolamine
Property Insights of 4-(4-Chlorophenyl)-5-isoxazolamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-5-isoxazolamine. With a topological polar surface area (TPSA) of 52.1 Ų, 4-(4-Chlorophenyl)-5-isoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-5-isoxazolamine has 1 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 4-(4-Chlorophenyl)-5-isoxazolamine?
The CAS number of 4-(4-Chlorophenyl)-5-isoxazolamine is 64047-49-0.
What is the molecular formula of 4-(4-Chlorophenyl)-5-isoxazolamine?
The molecular formula of 4-(4-Chlorophenyl)-5-isoxazolamine is C9H7ClN2O.
What is the molecular weight of 4-(4-Chlorophenyl)-5-isoxazolamine?
The molecular weight of 4-(4-Chlorophenyl)-5-isoxazolamine is 194.02 g/mol.
Where can I buy 4-(4-Chlorophenyl)-5-isoxazolamine?
You can request a quote for 4-(4-Chlorophenyl)-5-isoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-5-isoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-5-isoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.