ChemDiv3_001079
TL;DR: ChemDiv3_001079 (CAS 392236-22-5) is a chemical compound with molecular formula C18H17ClN4O2 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)iminomethyl]-2-(2-hydroxyethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
Also Known As: ChemDiv3_001079, IDI1_020045, 3-[(4-chloroanilino)methylidene]-2-(2-hydroxyethylimino)-9-methyl-4-pyrido[1,2-a]pyrimidinone, 3-[(1E)-[(4-chlorophenyl)imino]methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-[(4-chlorophenyl)iminomethyl]-2-(2-hydroxyethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C18H17ClN4O2 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 2.81112 |
| Topological Polar Surface Area | 78.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.104 |
| Heavy Atoms | 25 |
| Complexity | 980.7729 |
Chemical Identifiers
| CAS Number | 392236-22-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)C=NC3=CC=C(C=C3)Cl)NCCO |
Product Overview
ChemDiv3_001079 (CAS 392236-22-5), with molecular formula C18H17ClN4O2 and molecular weight 356.10 g/mol. IUPAC: 3-[(4-chlorophenyl)iminomethyl]-2-(2-hydroxyethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of ChemDiv3_001079
Property Insights of ChemDiv3_001079
The XLogP value of 2.81112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_001079. The TPSA of 78.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001079. Following Lipinski's Rule of Five, ChemDiv3_001079 has 2 hydrogen bond donor(s) and 5 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_001079?
The CAS number of ChemDiv3_001079 is 392236-22-5.
What is the molecular formula of ChemDiv3_001079?
The molecular formula of ChemDiv3_001079 is C18H17ClN4O2.
What is the molecular weight of ChemDiv3_001079?
The molecular weight of ChemDiv3_001079 is 356.10 g/mol.
Where can I buy ChemDiv3_001079?
You can request a quote for ChemDiv3_001079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001079?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.