ChemDiv1_014225
TL;DR: ChemDiv1_014225 (CAS 688355-54-6) is a chemical compound with molecular formula C25H20ClN5O2S and molecular weight 489.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
Also Known As: ChemDiv1_014225, BRD-K66437199-001-07-6, F6548-4598, 7-chloro-2-{[(4-{[(4-methoxyphenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, 7-chloro-2-[({4-[(4-methoxybenzyl)amino]quinazolin-2-yl}thio)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C25H20ClN5O2S |
|---|---|
| Molecular Weight | 489.10 g/mol |
| LogP | 5.2041 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.10263 |
| Heavy Atoms | 34 |
| Complexity | 1539.0026 |
Chemical Identifiers
| CAS Number | 688355-54-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=C(C=CC5=N4)Cl |
Product Overview
ChemDiv1_014225 (CAS 688355-54-6), with molecular formula C25H20ClN5O2S and molecular weight 489.10 g/mol. IUPAC: 7-chloro-2-[[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_014225
Property Insights of ChemDiv1_014225
The XLogP value of 5.2041 indicates that ChemDiv1_014225 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_014225. Following Lipinski's Rule of Five, ChemDiv1_014225 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014225?
The CAS number of ChemDiv1_014225 is 688355-54-6.
What is the molecular formula of ChemDiv1_014225?
The molecular formula of ChemDiv1_014225 is C25H20ClN5O2S.
What is the molecular weight of ChemDiv1_014225?
The molecular weight of ChemDiv1_014225 is 489.10 g/mol.
Where can I buy ChemDiv1_014225?
You can request a quote for ChemDiv1_014225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014225?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.