AB00116321-01
TL;DR: AB00116321-01 (CAS 431923-16-9) is a chemical compound with molecular formula C23H18ClN3O2S and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
Also Known As: AB00116321-01, 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide, 2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(o-tolyl)acetamide, 2-[3-(4-chlorophenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]-N-(2-methylphenyl)ace tamide, 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
| Molecular Formula | C23H18ClN3O2S |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 5.07832 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.0808 |
| Heavy Atoms | 30 |
| Complexity | 1285.869 |
Chemical Identifiers
| CAS Number | 431923-16-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl |
Product Overview
AB00116321-01 (CAS 431923-16-9), with molecular formula C23H18ClN3O2S and molecular weight 435.08 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide.
Chemical Property Profile of AB00116321-01
Property Insights of AB00116321-01
The XLogP value of 5.07832 indicates that AB00116321-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116321-01. Following Lipinski's Rule of Five, AB00116321-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00116321-01?
The CAS number of AB00116321-01 is 431923-16-9.
What is the molecular formula of AB00116321-01?
The molecular formula of AB00116321-01 is C23H18ClN3O2S.
What is the molecular weight of AB00116321-01?
The molecular weight of AB00116321-01 is 435.08 g/mol.
Where can I buy AB00116321-01?
You can request a quote for AB00116321-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116321-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116321-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.