Zoxazolamine
TL;DR: Zoxazolamine (CAS 61-80-3) is a chemical compound with molecular formula C7H5ClN2O and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-benzoxazol-2-amine
Also Known As: Zoxazolamine, 2-Amino-5-chlorobenzoxazole, Flexin, Contrazole, Deflexol
| Molecular Formula | C7H5ClN2O |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.00903 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 61-80-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N=C(O2)N |
| InChIKey | YGCODSQDUUUKIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zoxazolamine (CAS 61-80-3), with molecular formula C7H5ClN2O and molecular weight 168.01 g/mol. IUPAC: 5-chloro-1,3-benzoxazol-2-amine.
Chemical Property Profile of Zoxazolamine
Property Insights of Zoxazolamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zoxazolamine. With a topological polar surface area (TPSA) of 52.1 Ų, Zoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zoxazolamine 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 Zoxazolamine?
The CAS number of Zoxazolamine is 61-80-3.
What is the molecular formula of Zoxazolamine?
The molecular formula of Zoxazolamine is C7H5ClN2O.
What is the molecular weight of Zoxazolamine?
The molecular weight of Zoxazolamine is 168.01 g/mol.
Where can I buy Zoxazolamine?
You can request a quote for Zoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for Zoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.