![3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid structure](/static/products/295/29529-82-6.png)
3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid
TL;DR: 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid (CAS 29529-82-6) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid
Also Known As: 3-[4-(dimethylamino)phenyl]-2-sulfanylacrylic acid, 3-(4-dimethylaminophenyl)-2-sulfanyl-prop-2-enoic Acid, 3-(4-dimethylaminophenyl)-2-sulfanylprop-2-enoic acid
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 2.1079 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 382.0793 |
Chemical Identifiers
| CAS Number | 29529-82-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C(=O)O)S |
Product Overview
3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid (CAS 29529-82-6), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid
Property Insights of 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid
The XLogP value of 2.1079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid. With a topological polar surface area (TPSA) of 40.54 Ų, 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid has 2 hydrogen bond donor(s) and 3 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-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid?
The CAS number of 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid is 29529-82-6.
What is the molecular formula of 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid?
The molecular formula of 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid is C11H13NO2S.
What is the molecular weight of 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid?
The molecular weight of 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid is 223.07 g/mol.
Where can I buy 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid?
You can request a quote for 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Dimethylamino)phenyl]-2-sulfanylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.