![ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate structure](/static/products/139/1396963-75-9.png)
ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate
TL;DR: ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate (CAS 1396963-75-9) is a chemical compound with molecular formula C15H17BrN2O4S and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
Also Known As: AA-768/30891048, ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate, ethyl 2-amino-3-((1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl)thio)propanoate, ethyl 2-amino-3-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate, ethyl 2-amino-3-{[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}propanoate
| Molecular Formula | C15H17BrN2O4S |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 1.7046 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.00925 |
| Heavy Atoms | 23 |
| Complexity | 607.9994 |
Chemical Identifiers
| CAS Number | 1396963-75-9 |
|---|---|
| SMILES | CCOC(=O)C(CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)Br)N |
Product Overview
ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate (CAS 1396963-75-9), with molecular formula C15H17BrN2O4S and molecular weight 400.01 g/mol. IUPAC: ethyl 2-amino-3-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate.
Chemical Property Profile of ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate
Property Insights of ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate
The XLogP value of 1.7046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate. Following Lipinski's Rule of Five, ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate 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 S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate?
The CAS number of ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate is 1396963-75-9.
What is the molecular formula of ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate?
The molecular formula of ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate is C15H17BrN2O4S.
What is the molecular weight of ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate?
The molecular weight of ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate is 400.01 g/mol.
Where can I buy ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate?
You can request a quote for ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl S-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.