BAS 00653153
TL;DR: BAS 00653153 (CAS 329708-66-9) is a chemical compound with molecular formula C22H19ClN4 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylanilino)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: BAS 00653153, 1-(3-chloro-4-methylanilino)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(3-CL-4-METHYLANILINO)-2-ET-3-METHYLPYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILE, (1E)-1-[(3-chloro-4-methylphenyl)imino]-2-ethyl-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((3-chloro-4-methylphenyl)amino)-2-ethyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C22H19ClN4 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 5.93542 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.12982 |
| Heavy Atoms | 27 |
| Complexity | 1230.9932 |
Chemical Identifiers
| CAS Number | 329708-66-9 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC(=C(C=C4)C)Cl |
Product Overview
BAS 00653153 (CAS 329708-66-9), with molecular formula C22H19ClN4 and molecular weight 374.13 g/mol. IUPAC: 1-(3-chloro-4-methylanilino)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of BAS 00653153
Property Insights of BAS 00653153
The XLogP value of 5.93542 indicates that BAS 00653153 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, BAS 00653153 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00653153 has 1 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 BAS 00653153?
The CAS number of BAS 00653153 is 329708-66-9.
What is the molecular formula of BAS 00653153?
The molecular formula of BAS 00653153 is C22H19ClN4.
What is the molecular weight of BAS 00653153?
The molecular weight of BAS 00653153 is 374.13 g/mol.
Where can I buy BAS 00653153?
You can request a quote for BAS 00653153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00653153?
Yes, KEHONG BIO provides custom synthesis services for BAS 00653153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.