F3168-1645
TL;DR: F3168-1645 (CAS 422273-78-7) is a chemical compound with molecular formula C25H19ClN4O3S and molecular weight 490.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
Also Known As: F3168-1645, methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate, methyl 2-{[(1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 2-[(1H-benzimidazol-2-ylmethyl)thio]-3-(4-chlorobenzyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-3-(4-chlorobenzyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
| Molecular Formula | C25H19ClN4O3S |
|---|---|
| Molecular Weight | 490.09 g/mol |
| LogP | 5.0534 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.08664 |
| Heavy Atoms | 34 |
| Complexity | 1544.5151 |
Chemical Identifiers
| CAS Number | 422273-78-7 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4N3)CC5=CC=C(C=C5)Cl |
Product Overview
F3168-1645 (CAS 422273-78-7), with molecular formula C25H19ClN4O3S and molecular weight 490.09 g/mol. IUPAC: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate.
Chemical Property Profile of F3168-1645
Property Insights of F3168-1645
The XLogP value of 5.0534 indicates that F3168-1645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-1645. Following Lipinski's Rule of Five, F3168-1645 has 1 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 F3168-1645?
The CAS number of F3168-1645 is 422273-78-7.
What is the molecular formula of F3168-1645?
The molecular formula of F3168-1645 is C25H19ClN4O3S.
What is the molecular weight of F3168-1645?
The molecular weight of F3168-1645 is 490.09 g/mol.
Where can I buy F3168-1645?
You can request a quote for F3168-1645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-1645?
Yes, KEHONG BIO provides custom synthesis services for F3168-1645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.