ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate
TL;DR: ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate (CAS 799792-65-7) is a chemical compound with molecular formula C20H19IN2O4S and molecular weight 510.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-iodo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
Also Known As: ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate, Ethyl 2-[6-iodo-3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate, ethyl 2-[6-iodo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate, ethyl 2-{[6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoate
| Molecular Formula | C20H19IN2O4S |
|---|---|
| Molecular Weight | 510.01 g/mol |
| LogP | 4.0426 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.01102 |
| Heavy Atoms | 28 |
| Complexity | 1066.229 |
Chemical Identifiers
| CAS Number | 799792-65-7 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)OC |
Product Overview
ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate (CAS 799792-65-7), with molecular formula C20H19IN2O4S and molecular weight 510.01 g/mol. IUPAC: ethyl 2-[6-iodo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate.
Chemical Property Profile of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate
Property Insights of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate
The XLogP value of 4.0426 indicates that ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate. Following Lipinski's Rule of Five, ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
The CAS number of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is 799792-65-7.
What is the molecular formula of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
The molecular formula of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is C20H19IN2O4S.
What is the molecular weight of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
The molecular weight of ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate is 510.01 g/mol.
Where can I buy ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
You can request a quote for ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate 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-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.