3- ethylpropionate
TL;DR: 3- ethylpropionate (CAS 96804-65-8) is a chemical compound with molecular formula C11H21N3O2S and molecular weight 259.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate
Also Known As: 3- ethylpropionate, 3-(2,2-Dimethyl-1-allylthiocarbamoylhydrazino)ethylpropionate, Ethyl 3-(2,2-dimethyl-1-((2-propenylamino)thioxomethyl)hydrazino)propanoate, Propanoic acid, 3-(2,2-dimethyl-1-((2-propenylamino)thioxomethyl)hydrazino)-, ethyl ester, ethyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate
| Molecular Formula | C11H21N3O2S |
|---|---|
| Molecular Weight | 259.14 g/mol |
| LogP | 0.7787 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.13544 |
| Heavy Atoms | 17 |
| Complexity | 269.44217 |
Chemical Identifiers
| CAS Number | 96804-65-8 |
|---|---|
| SMILES | CCOC(=O)CCN(C(=S)NCC=C)N(C)C |
Product Overview
3- ethylpropionate (CAS 96804-65-8), with molecular formula C11H21N3O2S and molecular weight 259.14 g/mol. IUPAC: ethyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate.
Chemical Property Profile of 3- ethylpropionate
Property Insights of 3- ethylpropionate
The XLogP value of 0.7787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3- ethylpropionate. With a topological polar surface area (TPSA) of 44.81 Ų, 3- ethylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3- ethylpropionate has 1 hydrogen bond donor(s) and 4 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 3- ethylpropionate?
The CAS number of 3- ethylpropionate is 96804-65-8.
What is the molecular formula of 3- ethylpropionate?
The molecular formula of 3- ethylpropionate is C11H21N3O2S.
What is the molecular weight of 3- ethylpropionate?
The molecular weight of 3- ethylpropionate is 259.14 g/mol.
Where can I buy 3- ethylpropionate?
You can request a quote for 3- ethylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3- ethylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 3- ethylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.