Phenyl(quinazolin-4-ylsulfanyl)acetic acid
TL;DR: Phenyl(quinazolin-4-ylsulfanyl)acetic acid (CAS 95616-37-8) 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-phenyl-2-quinazolin-4-ylsulfanylacetic acid
Also Known As: (4-quinazolinylthio)phenylacetic acid, phenyl(quinazolin-4-ylsulfanyl)acetic acid, phenyl(4-quinazolinylsulfanyl)acetic acid, 2-phenyl-2-quinazolin-4-ylthioacetic acid, Phenyl-(quinazolin-4-ylsulfanyl)-acetic acid
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 3.5478 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 772.0937 |
Chemical Identifiers
| CAS Number | 95616-37-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)SC2=NC=NC3=CC=CC=C32 |
Product Overview
Phenyl(quinazolin-4-ylsulfanyl)acetic acid (CAS 95616-37-8), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 2-phenyl-2-quinazolin-4-ylsulfanylacetic acid.
Chemical Property Profile of Phenyl(quinazolin-4-ylsulfanyl)acetic acid
Property Insights of Phenyl(quinazolin-4-ylsulfanyl)acetic acid
The XLogP value of 3.5478 indicates that Phenyl(quinazolin-4-ylsulfanyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl(quinazolin-4-ylsulfanyl)acetic acid. Following Lipinski's Rule of Five, Phenyl(quinazolin-4-ylsulfanyl)acetic acid has 1 hydrogen bond donor(s) and 4 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 Phenyl(quinazolin-4-ylsulfanyl)acetic acid?
The CAS number of Phenyl(quinazolin-4-ylsulfanyl)acetic acid is 95616-37-8.
What is the molecular formula of Phenyl(quinazolin-4-ylsulfanyl)acetic acid?
The molecular formula of Phenyl(quinazolin-4-ylsulfanyl)acetic acid is C16H12N2O2S.
What is the molecular weight of Phenyl(quinazolin-4-ylsulfanyl)acetic acid?
The molecular weight of Phenyl(quinazolin-4-ylsulfanyl)acetic acid is 296.06 g/mol.
Where can I buy Phenyl(quinazolin-4-ylsulfanyl)acetic acid?
You can request a quote for Phenyl(quinazolin-4-ylsulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(quinazolin-4-ylsulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(quinazolin-4-ylsulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.