Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate
TL;DR: Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate (CAS 108877-03-8) is a chemical compound with molecular formula C12H20N2O5S and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate
Also Known As: Diethyl 2-acetamido-2-(2-carbamothioylethyl)propanedioate, ethyl 2-acetamido-4-ethoxycarbonyl-4-thiocarbamoylbutanoate
| Molecular Formula | C12H20N2O5S |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 0.0538 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.10928 |
| Heavy Atoms | 20 |
| Complexity | 379.30893 |
Chemical Identifiers
| CAS Number | 108877-03-8 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=S)N)(C(=O)OCC)NC(=O)C |
Product Overview
Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate (CAS 108877-03-8), with molecular formula C12H20N2O5S and molecular weight 304.11 g/mol. IUPAC: diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate
Property Insights of Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate
The XLogP value of 0.0538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate has 2 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 Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate?
The CAS number of Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate is 108877-03-8.
What is the molecular formula of Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate?
The molecular formula of Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate is C12H20N2O5S.
What is the molecular weight of Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate?
The molecular weight of Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate is 304.11 g/mol.
Where can I buy Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate?
You can request a quote for Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-(3-amino-3-sulfanylidenepropyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.