3-(1,3-Benzoxazol-2-yl)aniline
TL;DR: 3-(1,3-Benzoxazol-2-yl)aniline (CAS 41373-36-8) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-yl)aniline
Also Known As: 3-Benzooxazol-2-yl-phenylamine, 3-(1,3-benzoxazol-2-yl)aniline, 3-(benzo[d]oxazol-2-yl)aniline, TimTec1_000910, 3-benzoxazol-2-ylphenylamine
| Molecular Formula | C13H10N2O |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.07932 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 41373-36-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N |
| InChIKey | WHVJDKRJPAKQIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,3-Benzoxazol-2-yl)aniline (CAS 41373-36-8), with molecular formula C13H10N2O and molecular weight 210.08 g/mol. IUPAC: 3-(1,3-benzoxazol-2-yl)aniline.
Chemical Property Profile of 3-(1,3-Benzoxazol-2-yl)aniline
Property Insights of 3-(1,3-Benzoxazol-2-yl)aniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzoxazol-2-yl)aniline. With a topological polar surface area (TPSA) of 52.1 Ų, 3-(1,3-Benzoxazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzoxazol-2-yl)aniline 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 3-(1,3-Benzoxazol-2-yl)aniline?
The CAS number of 3-(1,3-Benzoxazol-2-yl)aniline is 41373-36-8.
What is the molecular formula of 3-(1,3-Benzoxazol-2-yl)aniline?
The molecular formula of 3-(1,3-Benzoxazol-2-yl)aniline is C13H10N2O.
What is the molecular weight of 3-(1,3-Benzoxazol-2-yl)aniline?
The molecular weight of 3-(1,3-Benzoxazol-2-yl)aniline is 210.08 g/mol.
Where can I buy 3-(1,3-Benzoxazol-2-yl)aniline?
You can request a quote for 3-(1,3-Benzoxazol-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzoxazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzoxazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.