6-氯-1H-苯并咪唑-2-胺
TL;DR: 6-氯-1H-苯并咪唑-2-胺 (CAS 5418-93-9) is a chemical compound with molecular formula C7H6ClN3 and molecular weight 167.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-1H-苯并咪唑-2-胺
6-chloro-1H-benzimidazol-2-amine
Also Known As: 2-amino-6-chlorobenzimidazole, 6-chloro-1H-benzimidazol-2-amine, 2-Amino-5-chlorobenzimidazole, 1H-Benzimidazol-2-amine, 5-chloro-, Atomoxetine EP Impurity A
| Molecular Formula | C7H6ClN3 |
|---|---|
| Molecular Weight | 167.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.02502 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5418-93-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=N2)N |
| InChIKey | PDOCNPCPPLPXRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-氯-1H-苯并咪唑-2-胺 (CAS 5418-93-9), with molecular formula C7H6ClN3 and molecular weight 167.03 g/mol. IUPAC: 6-chloro-1H-benzimidazol-2-amine.
Chemical Property Profile of 6-氯-1H-苯并咪唑-2-胺
Property Insights of 6-氯-1H-苯并咪唑-2-胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯-1H-苯并咪唑-2-胺. With a topological polar surface area (TPSA) of 54.7 Ų, 6-氯-1H-苯并咪唑-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯-1H-苯并咪唑-2-胺 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 6-氯-1H-苯并咪唑-2-胺?
The CAS number of 6-氯-1H-苯并咪唑-2-胺 is 5418-93-9.
What is the molecular formula of 6-氯-1H-苯并咪唑-2-胺?
The molecular formula of 6-氯-1H-苯并咪唑-2-胺 is C7H6ClN3.
What is the molecular weight of 6-氯-1H-苯并咪唑-2-胺?
The molecular weight of 6-氯-1H-苯并咪唑-2-胺 is 167.03 g/mol.
Where can I buy 6-氯-1H-苯并咪唑-2-胺?
You can request a quote for 6-氯-1H-苯并咪唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-1H-苯并咪唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-1H-苯并咪唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.