5-Benzoxazolamine, 2-(3-aminophenyl)-
TL;DR: 5-Benzoxazolamine, 2-(3-aminophenyl)- (CAS 13707-90-9) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-aminophenyl)-1,3-benzoxazol-5-amine
Also Known As: 5-amino-2-(3-aminophenyl)benzoxazole, 2-(3-aminophenyl)-1,3-benzoxazol-5-amine, 5-benzoxazolamine, 2-(3-aminophenyl)-, 2-(3-Amino-phenyl)-benzooxazol-5-ylamine, ASISCHEM Y80324
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 13707-90-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C2=NC3=C(O2)C=CC(=C3)N |
| InChIKey | IKSUMZCUHPMCQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzoxazolamine, 2-(3-aminophenyl)- (CAS 13707-90-9), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: 2-(3-aminophenyl)-1,3-benzoxazol-5-amine.
Chemical Property Profile of 5-Benzoxazolamine, 2-(3-aminophenyl)-
Property Insights of 5-Benzoxazolamine, 2-(3-aminophenyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzoxazolamine, 2-(3-aminophenyl)-. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoxazolamine, 2-(3-aminophenyl)-. Following Lipinski's Rule of Five, 5-Benzoxazolamine, 2-(3-aminophenyl)- has 2 hydrogen bond donor(s) and 4 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 5-Benzoxazolamine, 2-(3-aminophenyl)-?
The CAS number of 5-Benzoxazolamine, 2-(3-aminophenyl)- is 13707-90-9.
What is the molecular formula of 5-Benzoxazolamine, 2-(3-aminophenyl)-?
The molecular formula of 5-Benzoxazolamine, 2-(3-aminophenyl)- is C13H11N3O.
What is the molecular weight of 5-Benzoxazolamine, 2-(3-aminophenyl)-?
The molecular weight of 5-Benzoxazolamine, 2-(3-aminophenyl)- is 225.09 g/mol.
Where can I buy 5-Benzoxazolamine, 2-(3-aminophenyl)-?
You can request a quote for 5-Benzoxazolamine, 2-(3-aminophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoxazolamine, 2-(3-aminophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoxazolamine, 2-(3-aminophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.