ChemDiv1_024740
TL;DR: ChemDiv1_024740 (CAS 329708-69-2) is a chemical compound with molecular formula C21H17FN4 and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-(4-fluoroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ChemDiv1_024740, 2-ethyl-1-[(4-fluorophenyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 2-ethyl-1-((4-fluorophenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-ETHYL-1-(4-FLUOROANILINO)-3-METHYLPYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE, 2-ethyl-1-(4-fluoroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C21H17FN4 |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.14374 |
| Heavy Atoms | 26 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 329708-69-2 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=C(C=C4)F |
| InChIKey | JNDAODAPMCHYCC-UHFFFAOYSA-N |
Product Overview
ChemDiv1_024740 (CAS 329708-69-2), with molecular formula C21H17FN4 and molecular weight 344.14 g/mol. IUPAC: 2-ethyl-1-(4-fluoroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of ChemDiv1_024740
Property Insights of ChemDiv1_024740
The XLogP value of 6.0 indicates that ChemDiv1_024740 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, ChemDiv1_024740 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024740 has 1 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_024740?
The CAS number of ChemDiv1_024740 is 329708-69-2.
What is the molecular formula of ChemDiv1_024740?
The molecular formula of ChemDiv1_024740 is C21H17FN4.
What is the molecular weight of ChemDiv1_024740?
The molecular weight of ChemDiv1_024740 is 344.14 g/mol.
Where can I buy ChemDiv1_024740?
You can request a quote for ChemDiv1_024740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024740?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.