ChemDiv3_003646
TL;DR: ChemDiv3_003646 (CAS 442572-35-2) is a chemical compound with molecular formula C26H27N5O and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ChemDiv3_003646, IDI1_021556, BRD-K85485517-001-01-0, 3-methyl-1-(4-(2-(p-tolyloxy)ethyl)piperazin-1-yl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, F1126-0014
| Molecular Formula | C26H27N5O |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 4.17702 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.22156 |
| Heavy Atoms | 32 |
| Complexity | 1294.0394 |
Chemical Identifiers
| CAS Number | 442572-35-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCN2CCN(CC2)C3=CC(=C(C4=NC5=CC=CC=C5N34)C#N)C |
Product Overview
ChemDiv3_003646 (CAS 442572-35-2), with molecular formula C26H27N5O and molecular weight 425.22 g/mol. IUPAC: 3-methyl-1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of ChemDiv3_003646
Property Insights of ChemDiv3_003646
The XLogP value of 4.17702 indicates that ChemDiv3_003646 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_003646 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003646 has 0 hydrogen bond donor(s) and 5 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 ChemDiv3_003646?
The CAS number of ChemDiv3_003646 is 442572-35-2.
What is the molecular formula of ChemDiv3_003646?
The molecular formula of ChemDiv3_003646 is C26H27N5O.
What is the molecular weight of ChemDiv3_003646?
The molecular weight of ChemDiv3_003646 is 425.22 g/mol.
Where can I buy ChemDiv3_003646?
You can request a quote for ChemDiv3_003646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003646?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.