(3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
TL;DR: (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid (CAS 63586-35-6) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
Also Known As: BAS 03067965, (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid, S-(3-methyl-4-oxoquinazolin-2-yl)thioglycolic acid, 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetic acid, 2-(3-methyl-4-oxo-3-hydroquinazolin-2-ylthio)acetic acid
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 63586-35-6 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O |
| InChIKey | BMSNATKBEGYZIC-UHFFFAOYSA-N |
Product Overview
(3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid (CAS 63586-35-6), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetic acid.
Chemical Property Profile of (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
Property Insights of (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-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 (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The CAS number of (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is 63586-35-6.
What is the molecular formula of (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The molecular formula of (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is C11H10N2O3S.
What is the molecular weight of (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The molecular weight of (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is 250.04 g/mol.
Where can I buy (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
You can request a quote for (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-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 (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.