ChemDiv3_004320
TL;DR: ChemDiv3_004320 (CAS 442567-49-9) is a chemical compound with molecular formula C20H14ClN3O and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ChemDiv3_004320, IDI1_022230, UPCMLD0ENAT5748191:001, F1092-0242, BRD-K13092266-001-01-4
| Molecular Formula | C20H14ClN3O |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.08255 |
| Heavy Atoms | 25 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 442567-49-9 |
|---|---|
| SMILES | CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CC4=CC=C(C=C4)Cl |
| InChIKey | RFXOPZXFZUYPPA-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004320 (CAS 442567-49-9), with molecular formula C20H14ClN3O and molecular weight 347.08 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of ChemDiv3_004320
Property Insights of ChemDiv3_004320
The XLogP value of 3.7 indicates that ChemDiv3_004320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.1 Ų, ChemDiv3_004320 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004320 has 1 hydrogen bond donor(s) and 3 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_004320?
The CAS number of ChemDiv3_004320 is 442567-49-9.
What is the molecular formula of ChemDiv3_004320?
The molecular formula of ChemDiv3_004320 is C20H14ClN3O.
What is the molecular weight of ChemDiv3_004320?
The molecular weight of ChemDiv3_004320 is 347.08 g/mol.
Where can I buy ChemDiv3_004320?
You can request a quote for ChemDiv3_004320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004320?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.