![Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate structure](/static/products/1076/1076263-39-2.webp)
Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate
TL;DR: Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate (CAS 1076263-39-2) is a chemical compound with molecular formula C15H17IN2O4S and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
Also Known As: ethyl S-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate, AJ-292/40762752, ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate, ethyl 2-amino-3-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate, ethyl 2-amino-3-((1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl)thio)propanoate
| Molecular Formula | C15H17IN2O4S |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 1.5467 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.9954 |
| Heavy Atoms | 23 |
| Complexity | 607.9994 |
Chemical Identifiers
| CAS Number | 1076263-39-2 |
|---|---|
| SMILES | CCOC(=O)C(CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)I)N |
Product Overview
Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate (CAS 1076263-39-2), with molecular formula C15H17IN2O4S and molecular weight 448.00 g/mol. IUPAC: ethyl 2-amino-3-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate.
Chemical Property Profile of Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate
Property Insights of Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate
The XLogP value of 1.5467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate has 1 hydrogen bond donor(s) and 6 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-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate?
The CAS number of Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate is 1076263-39-2.
What is the molecular formula of Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate?
The molecular formula of Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate is C15H17IN2O4S.
What is the molecular weight of Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate?
The molecular weight of Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate is 448.00 g/mol.
Where can I buy Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate?
You can request a quote for Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}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-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-{[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.