4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
TL;DR: 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 309969-95-7) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 3-allyl-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid, 4-oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, AF-399/15539350, 4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid, 3-allyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylic acid
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 309969-95-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S |
| InChIKey | IQUIBCXRPSGZSK-UHFFFAOYSA-N |
Product Overview
4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid (CAS 309969-95-7), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: 4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
Property Insights of 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid has 2 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 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The CAS number of 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 309969-95-7.
What is the molecular formula of 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular formula of 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is C12H10N2O3S.
What is the molecular weight of 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
The molecular weight of 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid is 262.04 g/mol.
Where can I buy 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
You can request a quote for 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.