3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine
TL;DR: 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine (CAS 4084-38-2) is a chemical compound with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)-4-chloroaniline
Also Known As: 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine, 3-(1H-benzimidazol-2-yl)-4-chloroaniline, 3-(1H-benzo[d]imidazol-2-yl)-4-chloroaniline, 3-(1H-Benzimidazol-2-yl)-4-chlorobenzenamine, 2,3,5,6-Tetrafluorobenzyl alcohol
| Molecular Formula | C13H10ClN3 |
|---|---|
| Molecular Weight | 243.06 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 | 243.05632 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 4084-38-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)N)Cl |
| InChIKey | BGPSLCKBFGPVES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine (CAS 4084-38-2), with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-4-chloroaniline.
Chemical Property Profile of 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine
Property Insights of 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine. With a topological polar surface area (TPSA) of 54.7 Ų, 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine 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-Benzoimidazol-2-yl)-4-chloro-phenylamine?
The CAS number of 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine is 4084-38-2.
What is the molecular formula of 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine?
The molecular formula of 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine is C13H10ClN3.
What is the molecular weight of 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine?
The molecular weight of 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine is 243.06 g/mol.
Where can I buy 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine?
You can request a quote for 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Benzoimidazol-2-yl)-4-chloro-phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.