N-butyl-1H-1,3-benzodiazol-2-amine
TL;DR: N-butyl-1H-1,3-benzodiazol-2-amine (CAS 42518-27-4) is a chemical compound with molecular formula C11H15N3 and molecular weight 189.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-1H-benzimidazol-2-amine
Also Known As: n-butyl-1h-benzimidazol-2-amine, N-Butyl-1H-benzo[d]imidazol-2-amine, 2-n-Butylaminobenzimidazol, N-BUTYL-1H-1,3-BENZODIAZOL-2-AMINE, 1H-Benzimidazol-2-amine,N-butyl-(9CI)
| Molecular Formula | C11H15N3 |
|---|---|
| Molecular Weight | 189.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.1266 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 42518-27-4 |
|---|---|
| SMILES | CCCCNC1=NC2=CC=CC=C2N1 |
| InChIKey | OKKUCNXCFWODOE-UHFFFAOYSA-N |
Product Overview
N-butyl-1H-1,3-benzodiazol-2-amine (CAS 42518-27-4), with molecular formula C11H15N3 and molecular weight 189.13 g/mol. IUPAC: N-butyl-1H-benzimidazol-2-amine.
Chemical Property Profile of N-butyl-1H-1,3-benzodiazol-2-amine
Property Insights of N-butyl-1H-1,3-benzodiazol-2-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-1H-1,3-benzodiazol-2-amine. With a topological polar surface area (TPSA) of 40.7 Ų, N-butyl-1H-1,3-benzodiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-1H-1,3-benzodiazol-2-amine 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 N-butyl-1H-1,3-benzodiazol-2-amine?
The CAS number of N-butyl-1H-1,3-benzodiazol-2-amine is 42518-27-4.
What is the molecular formula of N-butyl-1H-1,3-benzodiazol-2-amine?
The molecular formula of N-butyl-1H-1,3-benzodiazol-2-amine is C11H15N3.
What is the molecular weight of N-butyl-1H-1,3-benzodiazol-2-amine?
The molecular weight of N-butyl-1H-1,3-benzodiazol-2-amine is 189.13 g/mol.
Where can I buy N-butyl-1H-1,3-benzodiazol-2-amine?
You can request a quote for N-butyl-1H-1,3-benzodiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-1H-1,3-benzodiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-1H-1,3-benzodiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.