N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine (CAS 331971-13-2) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-butylbenzimidazol-2-amine
Also Known As: BAS 00717533, AE-848/11420667, N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine, Benzo[1,3]dioxol-5-ylmethyl-(1-butyl-1H-benzoimidazol-2-yl)-amine, N-(1,3-benzodioxol-5-ylmethyl)-1-butylbenzimidazol-2-amine
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 4.1772 |
| Topological Polar Surface Area | 48.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 856.9392 |
Chemical Identifiers
| CAS Number | 331971-13-2 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2N=C1NCC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine (CAS 331971-13-2), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-butylbenzimidazol-2-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine
The XLogP value of 4.1772 indicates that N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.31 Ų, N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine is 331971-13-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine is C19H21N3O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine is 323.16 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-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-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.