Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
TL;DR: Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate (CAS 180995-68-0) is a chemical compound with molecular formula C13H13IN2O3S and molecular weight 403.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
Also Known As: ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate, ethyl [(6-iodo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate, ethyl 2-((6-iodo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetate
| Molecular Formula | C13H13IN2O3S |
|---|---|
| Molecular Weight | 403.97 g/mol |
| LogP | 2.1933 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.96915 |
| Heavy Atoms | 20 |
| Complexity | 714.56384 |
Chemical Identifiers
| CAS Number | 180995-68-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1C |
Product Overview
Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate (CAS 180995-68-0), with molecular formula C13H13IN2O3S and molecular weight 403.97 g/mol. IUPAC: ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
Property Insights of Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
The XLogP value of 2.1933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate has 0 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 Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
The CAS number of Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate is 180995-68-0.
What is the molecular formula of Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
The molecular formula of Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate is C13H13IN2O3S.
What is the molecular weight of Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
The molecular weight of Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate is 403.97 g/mol.
Where can I buy Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
You can request a quote for Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6-iodo-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.