F3168-1646
TL;DR: F3168-1646 (CAS 422273-79-8) is a chemical compound with molecular formula C28H19ClN2O6S and molecular weight 546.07 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-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylquinazoline-7-carboxylate
Also Known As: F3168-1646, methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate, methyl 3-(4-chlorobenzyl)-4-oxo-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-3,4-dihydroquinazoline-7-carboxylate, methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylquinazoline-7-carboxylate
| Molecular Formula | C28H19ClN2O6S |
|---|---|
| Molecular Weight | 546.07 g/mol |
| LogP | 4.9662 |
| Topological Polar Surface Area | 108.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.06525 |
| Heavy Atoms | 38 |
| Complexity | 1828.6055 |
Chemical Identifiers
| CAS Number | 422273-79-8 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)CC5=CC=C(C=C5)Cl |
Product Overview
F3168-1646 (CAS 422273-79-8), with molecular formula C28H19ClN2O6S and molecular weight 546.07 g/mol. IUPAC: methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylquinazoline-7-carboxylate.
Chemical Property Profile of F3168-1646
Property Insights of F3168-1646
The XLogP value of 4.9662 indicates that F3168-1646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.47 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-1646. Following Lipinski's Rule of Five, F3168-1646 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3168-1646?
The CAS number of F3168-1646 is 422273-79-8.
What is the molecular formula of F3168-1646?
The molecular formula of F3168-1646 is C28H19ClN2O6S.
What is the molecular weight of F3168-1646?
The molecular weight of F3168-1646 is 546.07 g/mol.
Where can I buy F3168-1646?
You can request a quote for F3168-1646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-1646?
Yes, KEHONG BIO provides custom synthesis services for F3168-1646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.