Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester
TL;DR: Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester (CAS 22623-56-9) is a chemical compound with molecular formula C13H19NO2S2 and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate
Also Known As: (3,4-Dimethoxyphenethyl)dithiocarbamic acid ethyl ester, CARBAMIC ACID, (3,4-DIMETHOXYPHENETHYL)DITHIO-, ETHYL ESTER, J2.574.762C, 3,4-Dimethoxyphenethyldithiocarbamic acid ethyl ester, Ethyl [2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate
| Molecular Formula | C13H19NO2S2 |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 2.8739 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.08572 |
| Heavy Atoms | 18 |
| Complexity | 396.57767 |
Chemical Identifiers
| CAS Number | 22623-56-9 |
|---|---|
| SMILES | CCSC(=S)NCCC1=CC(=C(C=C1)OC)OC |
Product Overview
Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester (CAS 22623-56-9), with molecular formula C13H19NO2S2 and molecular weight 285.09 g/mol. IUPAC: ethyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate.
Chemical Property Profile of Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester
Property Insights of Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester
The XLogP value of 2.8739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester. With a topological polar surface area (TPSA) of 30.49 Ų, Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl 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-dimethoxyphenethyl)dithio-, ethyl ester?
The CAS number of Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester is 22623-56-9.
What is the molecular formula of Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester?
The molecular formula of Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester is C13H19NO2S2.
What is the molecular weight of Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester?
The molecular weight of Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester is 285.09 g/mol.
Where can I buy Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester?
You can request a quote for Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl 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-dimethoxyphenethyl)dithio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.