ChemDiv1_014185
TL;DR: ChemDiv1_014185 (CAS 896698-65-0) is a chemical compound with molecular formula C23H15F2N5OS and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
Also Known As: ChemDiv1_014185, F0919-6840, 2-[({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one, 2-[[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one, 2-{[4-(3,4-difluorophenylamino)-2-quinazolinylthio]methyl}-1,4a-diaza-4H-naphthalen-4-one
| Molecular Formula | C23H15F2N5OS |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 4.9518 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.09653 |
| Heavy Atoms | 32 |
| Complexity | 1522.1307 |
Chemical Identifiers
| CAS Number | 896698-65-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)NC5=CC(=C(C=C5)F)F |
Product Overview
ChemDiv1_014185 (CAS 896698-65-0), with molecular formula C23H15F2N5OS and molecular weight 447.10 g/mol. IUPAC: 2-[[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_014185
Property Insights of ChemDiv1_014185
The XLogP value of 4.9518 indicates that ChemDiv1_014185 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_014185. Following Lipinski's Rule of Five, ChemDiv1_014185 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_014185?
The CAS number of ChemDiv1_014185 is 896698-65-0.
What is the molecular formula of ChemDiv1_014185?
The molecular formula of ChemDiv1_014185 is C23H15F2N5OS.
What is the molecular weight of ChemDiv1_014185?
The molecular weight of ChemDiv1_014185 is 447.10 g/mol.
Where can I buy ChemDiv1_014185?
You can request a quote for ChemDiv1_014185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014185?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.