2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid
TL;DR: 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid (CAS 632289-45-3) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetic acid
Also Known As: BAS 06195432, 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid, (2-Phenyl-5,6,7,8-tetrahydro-quinazolin-4-ylsulfanyl)-acetic acid, AP-048/41435290, (2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-ylsulfanyl)acetic acid
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 632289-45-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)O |
| InChIKey | JCINOIXFFHAMFR-UHFFFAOYSA-N |
Product Overview
2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid (CAS 632289-45-3), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid
Property Insights of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid
The XLogP value of 3.5 indicates that 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid has 1 hydrogen bond donor(s) and 5 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 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid?
The CAS number of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid is 632289-45-3.
What is the molecular formula of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid?
The molecular formula of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid is C16H16N2O2S.
What is the molecular weight of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid?
The molecular weight of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid is 300.09 g/mol.
Where can I buy 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid?
You can request a quote for 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.