ChemDiv3_003690
TL;DR: ChemDiv3_003690 (CAS 683795-48-4) is a chemical compound with molecular formula C27H28ClN5O and molecular weight 473.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ChemDiv3_003690, IDI1_021600, 1-(4-(5-chloro-2-methoxybenzyl)piperazin-1-yl)-2-ethyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[4-(5-chloro-2-methoxybenzyl)-1-piperazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C27H28ClN5O |
|---|---|
| Molecular Weight | 473.20 g/mol |
| LogP | 5.2142 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.19824 |
| Heavy Atoms | 34 |
| Complexity | 1412.5665 |
Chemical Identifiers
| CAS Number | 683795-48-4 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=C(C=CC(=C5)Cl)OC |
Product Overview
ChemDiv3_003690 (CAS 683795-48-4), with molecular formula C27H28ClN5O and molecular weight 473.20 g/mol. IUPAC: 1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of ChemDiv3_003690
Property Insights of ChemDiv3_003690
The XLogP value of 5.2142 indicates that ChemDiv3_003690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, ChemDiv3_003690 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003690 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003690?
The CAS number of ChemDiv3_003690 is 683795-48-4.
What is the molecular formula of ChemDiv3_003690?
The molecular formula of ChemDiv3_003690 is C27H28ClN5O.
What is the molecular weight of ChemDiv3_003690?
The molecular weight of ChemDiv3_003690 is 473.20 g/mol.
Where can I buy ChemDiv3_003690?
You can request a quote for ChemDiv3_003690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003690?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.