3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate
TL;DR: 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate (CAS 96804-66-9) is a chemical compound with molecular formula C14H21N3O2S and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate
Also Known As: 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate, Ethyl 3-(2,2-dimethyl-1-((phenylamino)thioxomethyl)hydrazino)propanoate, Propanoic acid, 3-(2,2-dimethyl-1-((phenylamino)thioxomethyl)hydrazino)-, ethyl ester, ethyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate, ETHYL 3-(DIMETHYLAMINO-(PHENYLTHIOCARBAMOYL)AMINO)PROPANOATE
| Molecular Formula | C14H21N3O2S |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 2.1152 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.13544 |
| Heavy Atoms | 20 |
| Complexity | 437.30496 |
Chemical Identifiers
| CAS Number | 96804-66-9 |
|---|---|
| SMILES | CCOC(=O)CCN(C(=S)NC1=CC=CC=C1)N(C)C |
Product Overview
3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate (CAS 96804-66-9), with molecular formula C14H21N3O2S and molecular weight 295.14 g/mol. IUPAC: ethyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate.
Chemical Property Profile of 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate
Property Insights of 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate
The XLogP value of 2.1152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate. With a topological polar surface area (TPSA) of 44.81 Ų, 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)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-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate?
The CAS number of 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate is 96804-66-9.
What is the molecular formula of 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate?
The molecular formula of 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate is C14H21N3O2S.
What is the molecular weight of 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate?
The molecular weight of 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate is 295.14 g/mol.
Where can I buy 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate?
You can request a quote for 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethyl-1-phenylthiocarbamoylhydrazino)ethylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.