![3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid structure](/static/products/1645/164531-22-0.webp)
3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid
TL;DR: 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid (CAS 164531-22-0) is a chemical compound with molecular formula C18H15NO4S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
Also Known As: 3-(1-Tosyl-1H-indol-3-yl)acrylic acid, 3-{1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl}acrylic acid, (E)-3-(1-Tosyl-1H-indol-3-yl)acrylic acid, 3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic Acid, 3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoic acid
| Molecular Formula | C18H15NO4S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 3.28452 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.07217 |
| Heavy Atoms | 24 |
| Complexity | 1044.3173 |
Chemical Identifiers
| CAS Number | 164531-22-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=CC(=O)O |
Product Overview
3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid (CAS 164531-22-0), with molecular formula C18H15NO4S and molecular weight 341.07 g/mol. IUPAC: 3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid
Property Insights of 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid
The XLogP value of 3.28452 indicates that 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid has 1 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-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid?
The CAS number of 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid is 164531-22-0.
What is the molecular formula of 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid?
The molecular formula of 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid is C18H15NO4S.
What is the molecular weight of 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid?
The molecular weight of 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid is 341.07 g/mol.
Where can I buy 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid?
You can request a quote for 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-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-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(p-Tolylsulfonyl)indol-3-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.