Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester
TL;DR: Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester (CAS 22739-10-2) is a chemical compound with molecular formula C16H23NO4S2 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-diethoxyphenyl)ethylcarbamothioylsulfanylformate
Also Known As: Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester, Thiocarbonic acid anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid ethyl ester, ethyl 2-(3,4-diethoxyphenyl)ethylcarbamothioylsulfanylformate, RefChem:333431
| Molecular Formula | C16H23NO4S2 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.7907 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.10684 |
| Heavy Atoms | 23 |
| Complexity | 522.80176 |
Chemical Identifiers
| CAS Number | 22739-10-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCNC(=S)SC(=O)OCC)OCC |
Product Overview
Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester (CAS 22739-10-2), with molecular formula C16H23NO4S2 and molecular weight 357.11 g/mol. IUPAC: ethyl 2-(3,4-diethoxyphenyl)ethylcarbamothioylsulfanylformate.
Chemical Property Profile of Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester
Property Insights of Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester
The XLogP value of 3.7907 indicates that Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester 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 Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester?
The CAS number of Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester is 22739-10-2.
What is the molecular formula of Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester?
The molecular formula of Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester is C16H23NO4S2.
What is the molecular weight of Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester?
The molecular weight of Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester is 357.11 g/mol.
Where can I buy Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester?
You can request a quote for Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, thio-, anhydrosulfide with (3,4-diethoxyphenethyl)dithiocarbamic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.