methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
TL;DR: methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate (CAS 5429-52-7) is a chemical compound with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
Also Known As: methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoli, methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate, Methyl 4-oxo-2-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazoline-6-carboxylate
| Molecular Formula | C10H12N2O3S |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.71039 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.05687 |
| Heavy Atoms | 16 |
| Complexity | 531.6011 |
Chemical Identifiers
| CAS Number | 5429-52-7 |
|---|---|
| SMILES | COC(=O)C1CCC2=C(C1)C(=O)NC(=S)N2 |
Product Overview
methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate (CAS 5429-52-7), with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol. IUPAC: methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate.
Chemical Property Profile of methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
Property Insights of methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
The XLogP value of 0.71039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate. Following Lipinski's Rule of Five, methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-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-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The CAS number of methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate is 5429-52-7.
What is the molecular formula of methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The molecular formula of methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate is C10H12N2O3S.
What is the molecular weight of methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
The molecular weight of methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate is 240.06 g/mol.
Where can I buy methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
You can request a quote for methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-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-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-oxo-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.