ChemDiv3_000980
TL;DR: ChemDiv3_000980 (CAS 302967-08-4) is a chemical compound with molecular formula C21H23BrN4 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-bromophenyl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine
Also Known As: ChemDiv3_000980, IDI1_019946, BRD-K03424958-001-01-4, N-[(E)-(4-bromophenyl)methylidene]-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine, (E)-N-(4-bromobenzylidene)-1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-amine
| Molecular Formula | C21H23BrN4 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 5.0353 |
| Topological Polar Surface Area | 33.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1106 |
| Heavy Atoms | 26 |
| Complexity | 892.02 |
Chemical Identifiers
| CAS Number | 302967-08-4 |
|---|---|
| SMILES | C1CCN(CC1)CCN2C3=CC=CC=C3N=C2/N=C/C4=CC=C(C=C4)Br |
Product Overview
ChemDiv3_000980 (CAS 302967-08-4), with molecular formula C21H23BrN4 and molecular weight 410.11 g/mol. IUPAC: (E)-1-(4-bromophenyl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine.
Chemical Property Profile of ChemDiv3_000980
Property Insights of ChemDiv3_000980
The XLogP value of 5.0353 indicates that ChemDiv3_000980 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.42 Ų, ChemDiv3_000980 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_000980 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_000980?
The CAS number of ChemDiv3_000980 is 302967-08-4.
What is the molecular formula of ChemDiv3_000980?
The molecular formula of ChemDiv3_000980 is C21H23BrN4.
What is the molecular weight of ChemDiv3_000980?
The molecular weight of ChemDiv3_000980 is 410.11 g/mol.
Where can I buy ChemDiv3_000980?
You can request a quote for ChemDiv3_000980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000980?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.