ChemDiv3_000495
TL;DR: ChemDiv3_000495 (CAS 313527-98-9) is a chemical compound with molecular formula C19H13ClN4 and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ChemDiv3_000495, BAS 00280575, 1-(4-chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((4-chlorophenyl)amino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-(4-CHLOROANILINO)-3-METHYLPYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE
| Molecular Formula | C19H13ClN4 |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0829 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 313527-98-9 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4=CC=C(C=C4)Cl)C#N |
| InChIKey | HTIYAFHNCYRKMS-UHFFFAOYSA-N |
Product Overview
ChemDiv3_000495 (CAS 313527-98-9), with molecular formula C19H13ClN4 and molecular weight 332.08 g/mol. IUPAC: 1-(4-chloroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of ChemDiv3_000495
Property Insights of ChemDiv3_000495
The XLogP value of 5.8 indicates that ChemDiv3_000495 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, ChemDiv3_000495 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_000495 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 ChemDiv3_000495?
The CAS number of ChemDiv3_000495 is 313527-98-9.
What is the molecular formula of ChemDiv3_000495?
The molecular formula of ChemDiv3_000495 is C19H13ClN4.
What is the molecular weight of ChemDiv3_000495?
The molecular weight of ChemDiv3_000495 is 332.08 g/mol.
Where can I buy ChemDiv3_000495?
You can request a quote for ChemDiv3_000495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000495?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.