F3168-1639
TL;DR: F3168-1639 (CAS 422273-71-0) is a chemical compound with molecular formula C25H18ClF3N2O4S and molecular weight 534.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate
Also Known As: F3168-1639, methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxylate, methyl 3-(4-chlorobenzyl)-4-oxo-2-((4-(trifluoromethoxy)benzyl)thio)-3,4-dihydroquinazoline-7-carboxylate, methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate
| Molecular Formula | C25H18ClF3N2O4S |
|---|---|
| Molecular Weight | 534.06 g/mol |
| LogP | 6.0757 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.0628 |
| Heavy Atoms | 36 |
| Complexity | 1456.1366 |
Chemical Identifiers
| CAS Number | 422273-71-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC(F)(F)F)CC4=CC=C(C=C4)Cl |
Product Overview
F3168-1639 (CAS 422273-71-0), with molecular formula C25H18ClF3N2O4S and molecular weight 534.06 g/mol. IUPAC: methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate.
Chemical Property Profile of F3168-1639
Property Insights of F3168-1639
The XLogP value of 6.0757 indicates that F3168-1639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-1639. Following Lipinski's Rule of Five, F3168-1639 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3168-1639?
The CAS number of F3168-1639 is 422273-71-0.
What is the molecular formula of F3168-1639?
The molecular formula of F3168-1639 is C25H18ClF3N2O4S.
What is the molecular weight of F3168-1639?
The molecular weight of F3168-1639 is 534.06 g/mol.
Where can I buy F3168-1639?
You can request a quote for F3168-1639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-1639?
Yes, KEHONG BIO provides custom synthesis services for F3168-1639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.