BAS 00653565
TL;DR: BAS 00653565 (CAS 329707-33-7) is a chemical compound with molecular formula C21H15Cl3N4 and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-methyl-1-(2,4,5-trichloroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: BAS 00653565, 2-ethyl-3-methyl-1-(2,4,5-trichloroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-ethyl-3-methyl-1-((2,4,5-trichlorophenyl)amino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, (1Z)-2-ethyl-3-methyl-1-[(2,4,5-trichlorophenyl)imino]-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 3-ethyl-2-methyl-4-[(2,4,5-trichlorophenyl)amino]-5-hydropyridino[1,2-a]benzim idazolecarbonitrile
| Molecular Formula | C21H15Cl3N4 |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 6.9338 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.03622 |
| Heavy Atoms | 28 |
| Complexity | 1285.019 |
Chemical Identifiers
| CAS Number | 329707-33-7 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC(=C(C=C4Cl)Cl)Cl |
Product Overview
BAS 00653565 (CAS 329707-33-7), with molecular formula C21H15Cl3N4 and molecular weight 428.04 g/mol. IUPAC: 2-ethyl-3-methyl-1-(2,4,5-trichloroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of BAS 00653565
Property Insights of BAS 00653565
The XLogP value of 6.9338 indicates that BAS 00653565 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 00653565 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00653565 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 00653565?
The CAS number of BAS 00653565 is 329707-33-7.
What is the molecular formula of BAS 00653565?
The molecular formula of BAS 00653565 is C21H15Cl3N4.
What is the molecular weight of BAS 00653565?
The molecular weight of BAS 00653565 is 428.04 g/mol.
Where can I buy BAS 00653565?
You can request a quote for BAS 00653565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00653565?
Yes, KEHONG BIO provides custom synthesis services for BAS 00653565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.