ChemDiv1_021761
TL;DR: ChemDiv1_021761 (CAS 305331-41-3) is a chemical compound with molecular formula C30H26ClN5 and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ChemDiv1_021761, BAS 00312747, UPCMLD0ENAT0516-3754:001, 1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-((2-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C30H26ClN5 |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 6.2326 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.18768 |
| Heavy Atoms | 36 |
| Complexity | 1593.1099 |
Chemical Identifiers
| CAS Number | 305331-41-3 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6Cl)C#N |
Product Overview
ChemDiv1_021761 (CAS 305331-41-3), with molecular formula C30H26ClN5 and molecular weight 491.19 g/mol. IUPAC: 1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of ChemDiv1_021761
Property Insights of ChemDiv1_021761
The XLogP value of 6.2326 indicates that ChemDiv1_021761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, ChemDiv1_021761 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021761 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021761?
The CAS number of ChemDiv1_021761 is 305331-41-3.
What is the molecular formula of ChemDiv1_021761?
The molecular formula of ChemDiv1_021761 is C30H26ClN5.
What is the molecular weight of ChemDiv1_021761?
The molecular weight of ChemDiv1_021761 is 491.19 g/mol.
Where can I buy ChemDiv1_021761?
You can request a quote for ChemDiv1_021761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021761?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.