Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester
TL;DR: Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester (CAS 19471-35-3) is a chemical compound with molecular formula C16H23NO2S2 and molecular weight 325.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamodithioate
Also Known As: (3,4-Diethoxyphenethyl)dithiocarbamic acid allyl ester, CARBAMIC ACID, (3,4-DIETHOXYPHENETHYL)DITHIO-, ALLYL ESTER, Prop-2-en-1-yl [2-(3,4-diethoxyphenyl)ethyl]carbamodithioate, prop-2-enyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamodithioate, RefChem:331988
| Molecular Formula | C16H23NO2S2 |
|---|---|
| Molecular Weight | 325.12 g/mol |
| LogP | 3.8202 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 325.11703 |
| Heavy Atoms | 21 |
| Complexity | 463.59024 |
Chemical Identifiers
| CAS Number | 19471-35-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCNC(=S)SCC=C)OCC |
Product Overview
Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester (CAS 19471-35-3), with molecular formula C16H23NO2S2 and molecular weight 325.12 g/mol. IUPAC: prop-2-enyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamodithioate.
Chemical Property Profile of Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester
Property Insights of Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester
The XLogP value of 3.8202 indicates that Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester 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 Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester?
The CAS number of Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester is 19471-35-3.
What is the molecular formula of Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester?
The molecular formula of Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester is C16H23NO2S2.
What is the molecular weight of Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester?
The molecular weight of Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester is 325.12 g/mol.
Where can I buy Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester?
You can request a quote for Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3,4-diethoxyphenethyl)dithio-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.