2-氨基-1H-1,3-苯并二唑-5-甲腈
TL;DR: 2-氨基-1H-1,3-苯并二唑-5-甲腈 (CAS 63655-40-3) is a chemical compound with molecular formula C8H6N4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-1H-1,3-苯并二唑-5-甲腈
2-amino-3H-benzimidazole-5-carbonitrile
Also Known As: 2-amino-1H-benzo[d]imidazole-5-carbonitrile, 2-Amino-1H-benzimidazole-5-carbonitrile, 5-Cyano-2-aminobenzimidazole, 2-amino-3H-benzimidazole-5-carbonitrile, 2-amino-5-cyanobenzimidazole
| Molecular Formula | C8H6N4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.05925 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 63655-40-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)NC(=N2)N |
| InChIKey | PNMKRBOIMTZVLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-1H-1,3-苯并二唑-5-甲腈 (CAS 63655-40-3), with molecular formula C8H6N4 and molecular weight 158.06 g/mol. IUPAC: 2-amino-3H-benzimidazole-5-carbonitrile.
Chemical Property Profile of 2-氨基-1H-1,3-苯并二唑-5-甲腈
Property Insights of 2-氨基-1H-1,3-苯并二唑-5-甲腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-1H-1,3-苯并二唑-5-甲腈. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-1H-1,3-苯并二唑-5-甲腈. Following Lipinski's Rule of Five, 2-氨基-1H-1,3-苯并二唑-5-甲腈 has 2 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 2-氨基-1H-1,3-苯并二唑-5-甲腈?
The CAS number of 2-氨基-1H-1,3-苯并二唑-5-甲腈 is 63655-40-3.
What is the molecular formula of 2-氨基-1H-1,3-苯并二唑-5-甲腈?
The molecular formula of 2-氨基-1H-1,3-苯并二唑-5-甲腈 is C8H6N4.
What is the molecular weight of 2-氨基-1H-1,3-苯并二唑-5-甲腈?
The molecular weight of 2-氨基-1H-1,3-苯并二唑-5-甲腈 is 158.06 g/mol.
Where can I buy 2-氨基-1H-1,3-苯并二唑-5-甲腈?
You can request a quote for 2-氨基-1H-1,3-苯并二唑-5-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-1H-1,3-苯并二唑-5-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-1H-1,3-苯并二唑-5-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.