3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-
TL;DR: 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- (CAS 73012-58-5) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenyl-4-sulfanylidenequinazolin-3-yl)acetic acid
Also Known As: 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-, 2-Phenyl-4-thioxo-3(4H)-quinazolineacetic acid, 5-24-04-00242 (Beilstein Handbook Reference), 2-Phenyl-4-thioxoquinazoline-3(4H)-acetic acid, 2-(2-phenyl-4-sulfanylidenequinazolin-3-yl)acetic acid
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 3.51739 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 872.3294 |
Chemical Identifiers
| CAS Number | 73012-58-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)N2CC(=O)O |
Product Overview
3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- (CAS 73012-58-5), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 2-(2-phenyl-4-sulfanylidenequinazolin-3-yl)acetic acid.
Chemical Property Profile of 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-
Property Insights of 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-
The XLogP value of 3.51739 indicates that 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- has 1 hydrogen bond donor(s) and 3 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 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-?
The CAS number of 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- is 73012-58-5.
What is the molecular formula of 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-?
The molecular formula of 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- is C16H12N2O2S.
What is the molecular weight of 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-?
The molecular weight of 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- is 296.06 g/mol.
Where can I buy 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-?
You can request a quote for 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 3(4H)-Quinazolineacetic acid, 2-phenyl-4-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.