Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate
TL;DR: Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate (CAS 422277-15-4) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
Also Known As: Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate, methyl 4-hydroxy-2-sulfanylquinazoline-7-carboxylate, Methyl 4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate, methyl 4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 4-oxo-2-thioxo-1H-quinazoline-7-carboxylate
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 1.37229 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 671.55383 |
Chemical Identifiers
| CAS Number | 422277-15-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)NC(=S)N2 |
Product Overview
Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate (CAS 422277-15-4), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: methyl 4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate.
Chemical Property Profile of Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate
Property Insights of Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate
The XLogP value of 1.37229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate 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 Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate?
The CAS number of Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate is 422277-15-4.
What is the molecular formula of Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate?
The molecular formula of Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate is C10H8N2O3S.
What is the molecular weight of Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate?
The molecular weight of Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate is 236.03 g/mol.
Where can I buy Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate?
You can request a quote for Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-2-mercaptoquinazoline-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.