ChemDiv1_014177
TL;DR: ChemDiv1_014177 (CAS 422533-47-9) is a chemical compound with molecular formula C23H23N5OS and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
Also Known As: ChemDiv1_014177, F6548-4551, 2-({[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one, 2-(((4-(cyclohexylamino)quinazolin-2-yl)thio)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one, 2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C23H23N5OS |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.6746 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.16232 |
| Heavy Atoms | 30 |
| Complexity | 1249.2622 |
Chemical Identifiers
| CAS Number | 422533-47-9 |
|---|---|
| SMILES | C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC(=O)N5C=CC=CC5=N4 |
Product Overview
ChemDiv1_014177 (CAS 422533-47-9), with molecular formula C23H23N5OS and molecular weight 417.16 g/mol. IUPAC: 2-[[4-(cyclohexylamino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_014177
Property Insights of ChemDiv1_014177
The XLogP value of 4.6746 indicates that ChemDiv1_014177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014177. Following Lipinski's Rule of Five, ChemDiv1_014177 has 1 hydrogen bond donor(s) and 6 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_014177?
The CAS number of ChemDiv1_014177 is 422533-47-9.
What is the molecular formula of ChemDiv1_014177?
The molecular formula of ChemDiv1_014177 is C23H23N5OS.
What is the molecular weight of ChemDiv1_014177?
The molecular weight of ChemDiv1_014177 is 417.16 g/mol.
Where can I buy ChemDiv1_014177?
You can request a quote for ChemDiv1_014177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014177?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.