(2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid
TL;DR: (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid (CAS 78299-53-3) 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.
(E)-3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)prop-2-enoic acid
Also Known As: Tiacrilastum, Tiacrilast [USAN:INN], Tiacrilastum [INN-Latin], TIACRILAST [INN], Tiacrilast (USAN/INN)
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 1.6737 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 691.2723 |
Chemical Identifiers
| CAS Number | 78299-53-3 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)O |
Product Overview
(2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid (CAS 78299-53-3), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: (E)-3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid
Property Insights of (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid
The XLogP value of 1.6737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid. Following Lipinski's Rule of Five, (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic 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 (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid?
The CAS number of (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid is 78299-53-3.
What is the molecular formula of (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid?
The molecular formula of (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid is C12H10N2O3S.
What is the molecular weight of (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid?
The molecular weight of (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid is 262.04 g/mol.
Where can I buy (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid?
You can request a quote for (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(6-(Methylthio)-4-oxo-3(4H)-quinazolinyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.