ChemDiv1_024325
TL;DR: ChemDiv1_024325 (CAS 425397-88-2) is a chemical compound with molecular formula C18H15ClN4O and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
Also Known As: ChemDiv1_024325, BIM-0043608.P001, AH-262/40907561, 3-[(4-chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile, 3-(4-Chlorobenzyl)-7-cyano-5,6-tetramethylene-3,4-dihydropyrrolo[3,2-d]pyrimidin-4-one
| Molecular Formula | C18H15ClN4O |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.09344 |
| Heavy Atoms | 24 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 425397-88-2 |
|---|---|
| SMILES | C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)Cl)C#N)C1 |
| InChIKey | PKVFTWWFLHZYOV-UHFFFAOYSA-N |
Product Overview
ChemDiv1_024325 (CAS 425397-88-2), with molecular formula C18H15ClN4O and molecular weight 338.09 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile.
Chemical Property Profile of ChemDiv1_024325
Property Insights of ChemDiv1_024325
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024325. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024325. Following Lipinski's Rule of Five, ChemDiv1_024325 has 0 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 ChemDiv1_024325?
The CAS number of ChemDiv1_024325 is 425397-88-2.
What is the molecular formula of ChemDiv1_024325?
The molecular formula of ChemDiv1_024325 is C18H15ClN4O.
What is the molecular weight of ChemDiv1_024325?
The molecular weight of ChemDiv1_024325 is 338.09 g/mol.
Where can I buy ChemDiv1_024325?
You can request a quote for ChemDiv1_024325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024325?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.