2-氨基-1-甲基-1H-苯并咪唑-5-甲腈
TL;DR: 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈 (CAS 141691-41-0) is a chemical compound with molecular formula C9H8N4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-1-甲基-1H-苯并咪唑-5-甲腈
2-amino-1-methylbenzimidazole-5-carbonitrile
Also Known As: 5-Cyano-1-methyl-2-aminobenzimidazole, 2-amino-1-methyl-1H-1,3-benzodiazole-5-carbonitrile, 1H-Benzimidazole-5-carbonitrile, 2-amino-1-methyl-, 2-amino-1-methylbenzimidazole-5-carbonitrile, 2-Amino-1-methyl-1H-benzimidazole-5-carbonitrile
| Molecular Formula | C9H8N4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.07489 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 141691-41-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C#N)N=C1N |
| InChIKey | VWOBVMUYALAJKO-UHFFFAOYSA-N |
Product Overview
2-氨基-1-甲基-1H-苯并咪唑-5-甲腈 (CAS 141691-41-0), with molecular formula C9H8N4 and molecular weight 172.07 g/mol. IUPAC: 2-amino-1-methylbenzimidazole-5-carbonitrile.
Chemical Property Profile of 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈
Property Insights of 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈. Following Lipinski's Rule of Five, 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈 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 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈?
The CAS number of 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈 is 141691-41-0.
What is the molecular formula of 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈?
The molecular formula of 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈 is C9H8N4.
What is the molecular weight of 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈?
The molecular weight of 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈 is 172.07 g/mol.
Where can I buy 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈?
You can request a quote for 2-氨基-1-甲基-1H-苯并咪唑-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-1-甲基-1H-苯并咪唑-5-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-1-甲基-1H-苯并咪唑-5-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.