ChemDiv3_012346
TL;DR: ChemDiv3_012346 (CAS 443347-65-7) is a chemical compound with molecular formula C22H20ClFN2O4S and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-chloro-4-fluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxylate
Also Known As: ChemDiv3_012346, BRD-K95614499-001-01-5, F0916-4043, methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate, methyl 3-(3-chloro-4-fluorophenyl)-2-((3,3-dimethyl-2-oxobutyl)thio)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
| Molecular Formula | C22H20ClFN2O4S |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 4.6721 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.08163 |
| Heavy Atoms | 31 |
| Complexity | 1250.7151 |
Chemical Identifiers
| CAS Number | 443347-65-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC(=C(C=C3)F)Cl |
Product Overview
ChemDiv3_012346 (CAS 443347-65-7), with molecular formula C22H20ClFN2O4S and molecular weight 462.08 g/mol. IUPAC: methyl 3-(3-chloro-4-fluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxylate.
Chemical Property Profile of ChemDiv3_012346
Property Insights of ChemDiv3_012346
The XLogP value of 4.6721 indicates that ChemDiv3_012346 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012346. Following Lipinski's Rule of Five, ChemDiv3_012346 has 0 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 ChemDiv3_012346?
The CAS number of ChemDiv3_012346 is 443347-65-7.
What is the molecular formula of ChemDiv3_012346?
The molecular formula of ChemDiv3_012346 is C22H20ClFN2O4S.
What is the molecular weight of ChemDiv3_012346?
The molecular weight of ChemDiv3_012346 is 462.08 g/mol.
Where can I buy ChemDiv3_012346?
You can request a quote for ChemDiv3_012346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012346?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.