3-(1H-1,3-benzodiazol-2-yl)aniline
TL;DR: 3-(1H-1,3-benzodiazol-2-yl)aniline (CAS 7596-74-9) is a chemical compound with molecular formula C13H11N3 and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)aniline
Also Known As: 3-(1H-benzimidazol-2-yl)aniline, 3-(1H-BENZO[D]IMIDAZOL-2-YL)ANILINE, 3-(1H-Benzoimidazol-2-yl)-phenylamine, 3-(1H-1,3-benzodiazol-2-yl)aniline, 3- ANILINE
| Molecular Formula | C13H11N3 |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.09529 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 7596-74-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)N |
| InChIKey | JHTBOVFZNCAYFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-1,3-benzodiazol-2-yl)aniline (CAS 7596-74-9), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)aniline.
Chemical Property Profile of 3-(1H-1,3-benzodiazol-2-yl)aniline
Property Insights of 3-(1H-1,3-benzodiazol-2-yl)aniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-1,3-benzodiazol-2-yl)aniline. With a topological polar surface area (TPSA) of 54.7 Ų, 3-(1H-1,3-benzodiazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-1,3-benzodiazol-2-yl)aniline has 2 hydrogen bond donor(s) and 2 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-(1H-1,3-benzodiazol-2-yl)aniline?
The CAS number of 3-(1H-1,3-benzodiazol-2-yl)aniline is 7596-74-9.
What is the molecular formula of 3-(1H-1,3-benzodiazol-2-yl)aniline?
The molecular formula of 3-(1H-1,3-benzodiazol-2-yl)aniline is C13H11N3.
What is the molecular weight of 3-(1H-1,3-benzodiazol-2-yl)aniline?
The molecular weight of 3-(1H-1,3-benzodiazol-2-yl)aniline is 209.10 g/mol.
Where can I buy 3-(1H-1,3-benzodiazol-2-yl)aniline?
You can request a quote for 3-(1H-1,3-benzodiazol-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-(1H-1,3-benzodiazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,3-benzodiazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.