1,3-Benzoxazol-6-amine
TL;DR: 1,3-Benzoxazol-6-amine (CAS 17824-82-7) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzoxazol-6-amine
Also Known As: benzo[d]oxazol-6-amine, 1,3-Benzoxazol-6-amine, 6-Aminobenzoxazole, 6-benzoxazolamine, Benzooxazol-6-ylamine
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 17824-82-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)OC=N2 |
| InChIKey | ZJYIRVSPPOOPCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzoxazol-6-amine (CAS 17824-82-7), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 1,3-benzoxazol-6-amine.
Chemical Property Profile of 1,3-Benzoxazol-6-amine
Property Insights of 1,3-Benzoxazol-6-amine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzoxazol-6-amine. With a topological polar surface area (TPSA) of 52.1 Ų, 1,3-Benzoxazol-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzoxazol-6-amine 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 1,3-Benzoxazol-6-amine?
The CAS number of 1,3-Benzoxazol-6-amine is 17824-82-7.
What is the molecular formula of 1,3-Benzoxazol-6-amine?
The molecular formula of 1,3-Benzoxazol-6-amine is C7H6N2O.
What is the molecular weight of 1,3-Benzoxazol-6-amine?
The molecular weight of 1,3-Benzoxazol-6-amine is 134.05 g/mol.
Where can I buy 1,3-Benzoxazol-6-amine?
You can request a quote for 1,3-Benzoxazol-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzoxazol-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzoxazol-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.