7-Chloro-2-benzoxazolamine
TL;DR: 7-Chloro-2-benzoxazolamine (CAS 64037-11-2) 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.
7-chloro-1,3-benzoxazol-2-amine
Also Known As: 7-chloro-1,3-benzoxazol-2-amine, 7-Chloro-2-benzoxazolamine, 2-Benzoxazolamine, 7-chloro-, 2-Amino-7-chlorobenzoxazole, 7-CHLOROBENZO[D]OXAZOL-2-AMINE
| Molecular Formula | C7H5ClN2O |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 2.0 |
| 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 | 64037-11-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)OC(=N2)N |
| InChIKey | ZNJCQBBJHFLQAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-2-benzoxazolamine (CAS 64037-11-2), with molecular formula C7H5ClN2O and molecular weight 168.01 g/mol. IUPAC: 7-chloro-1,3-benzoxazol-2-amine.
Chemical Property Profile of 7-Chloro-2-benzoxazolamine
Property Insights of 7-Chloro-2-benzoxazolamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-2-benzoxazolamine. With a topological polar surface area (TPSA) of 52.1 Ų, 7-Chloro-2-benzoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-2-benzoxazolamine 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 7-Chloro-2-benzoxazolamine?
The CAS number of 7-Chloro-2-benzoxazolamine is 64037-11-2.
What is the molecular formula of 7-Chloro-2-benzoxazolamine?
The molecular formula of 7-Chloro-2-benzoxazolamine is C7H5ClN2O.
What is the molecular weight of 7-Chloro-2-benzoxazolamine?
The molecular weight of 7-Chloro-2-benzoxazolamine is 168.01 g/mol.
Where can I buy 7-Chloro-2-benzoxazolamine?
You can request a quote for 7-Chloro-2-benzoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-2-benzoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-2-benzoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.