F3168-1642
TL;DR: F3168-1642 (CAS 422273-74-3) is a chemical compound with molecular formula C28H27ClN2O3S and molecular weight 506.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
Also Known As: F3168-1642, methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 2-((4-(tert-butyl)benzyl)thio)-3-(4-chlorobenzyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
| Molecular Formula | C28H27ClN2O3S |
|---|---|
| Molecular Weight | 506.14 g/mol |
| LogP | 6.4746 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.1431 |
| Heavy Atoms | 35 |
| Complexity | 1422.5442 |
Chemical Identifiers
| CAS Number | 422273-74-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=C(C=C4)Cl |
Product Overview
F3168-1642 (CAS 422273-74-3), with molecular formula C28H27ClN2O3S and molecular weight 506.14 g/mol. IUPAC: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate.
Chemical Property Profile of F3168-1642
Property Insights of F3168-1642
The XLogP value of 6.4746 indicates that F3168-1642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-1642. Following Lipinski's Rule of Five, F3168-1642 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3168-1642?
The CAS number of F3168-1642 is 422273-74-3.
What is the molecular formula of F3168-1642?
The molecular formula of F3168-1642 is C28H27ClN2O3S.
What is the molecular weight of F3168-1642?
The molecular weight of F3168-1642 is 506.14 g/mol.
Where can I buy F3168-1642?
You can request a quote for F3168-1642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-1642?
Yes, KEHONG BIO provides custom synthesis services for F3168-1642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.