ChemDiv1_014093
TL;DR: ChemDiv1_014093 (CAS 896798-26-8) is a chemical compound with molecular formula C25H21N5O2S and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
Also Known As: ChemDiv1_014093, F6548-4592, 2-(((4-((4-methoxybenzyl)amino)quinazolin-2-yl)thio)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one, 2-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one, 2-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C25H21N5O2S |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 4.5507 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1416 |
| Heavy Atoms | 33 |
| Complexity | 1484.4823 |
Chemical Identifiers
| CAS Number | 896798-26-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4 |
Product Overview
ChemDiv1_014093 (CAS 896798-26-8), with molecular formula C25H21N5O2S and molecular weight 455.14 g/mol. IUPAC: 2-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_014093
Property Insights of ChemDiv1_014093
The XLogP value of 4.5507 indicates that ChemDiv1_014093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014093. Following Lipinski's Rule of Five, ChemDiv1_014093 has 1 hydrogen bond donor(s) and 7 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_014093?
The CAS number of ChemDiv1_014093 is 896798-26-8.
What is the molecular formula of ChemDiv1_014093?
The molecular formula of ChemDiv1_014093 is C25H21N5O2S.
What is the molecular weight of ChemDiv1_014093?
The molecular weight of ChemDiv1_014093 is 455.14 g/mol.
Where can I buy ChemDiv1_014093?
You can request a quote for ChemDiv1_014093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014093?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.