carbamothioyl}sulfanyl)acetic acid structure](/static/products/3292/329209-03-2.webp)
({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid
TL;DR: ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid (CAS 329209-03-2) is a chemical compound with molecular formula C14H19NO4S2 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamothioyl]sulfanylacetic acid
Also Known As: 2-(((3,4-dimethoxyphenethyl)(methyl)carbamothioyl)thio)acetic acid, ({[2-(3,4-dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid, 2-({[2-(3,4-dimethoxyphenyl)ethyl]methylamino}thioxomethylthio)acetic acid, 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-thiocarbamoyl]sulfanylacetic Acid, 2-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamothioyl]sulfanylacetic acid
| Molecular Formula | C14H19NO4S2 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.2808 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.07556 |
| Heavy Atoms | 21 |
| Complexity | 507.7474 |
Chemical Identifiers
| CAS Number | 329209-03-2 |
|---|---|
| SMILES | CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)SCC(=O)O |
Product Overview
({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid (CAS 329209-03-2), with molecular formula C14H19NO4S2 and molecular weight 329.08 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamothioyl]sulfanylacetic acid.
Chemical Property Profile of ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid
Property Insights of ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid
The XLogP value of 2.2808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid. With a topological polar surface area (TPSA) of 59.0 Ų, ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid has 1 hydrogen bond donor(s) and 5 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 ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid?
The CAS number of ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid is 329209-03-2.
What is the molecular formula of ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid?
The molecular formula of ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid is C14H19NO4S2.
What is the molecular weight of ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid?
The molecular weight of ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid is 329.08 g/mol.
Where can I buy ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid?
You can request a quote for ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamothioyl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.