2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid
TL;DR: 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid (CAS 886500-82-9) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
Also Known As: 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid, (3,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid, 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanylacetic Acid, 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid, 2-[(3,6-dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetic acid
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.41862 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 678.81226 |
Chemical Identifiers
| CAS Number | 886500-82-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)O |
Product Overview
2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid (CAS 886500-82-9), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid
Property Insights of 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid
The XLogP value of 1.41862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)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 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
The CAS number of 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid is 886500-82-9.
What is the molecular formula of 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
The molecular formula of 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid is C12H12N2O3S.
What is the molecular weight of 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
The molecular weight of 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid is 264.06 g/mol.
Where can I buy 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
You can request a quote for 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-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-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,6-Dimethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.