2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid
TL;DR: 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid (CAS 68116-53-0) is a chemical compound with molecular formula C18H14O4S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid
Also Known As: 2-(1-carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic a, (E)-2-[(E)-1-carboxy-2-phenyl-ethenyl]sulfanyl-3-phenyl-prop-2-enoic acid, 2-(3-hydroxy-3-oxo-1-phenylprop-1-en-2-yl)sulfanyl-3-phenylprop-2-enoic acid
| Molecular Formula | C18H14O4S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.06128 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 68116-53-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C(=O)O)SC(=CC2=CC=CC=C2)C(=O)O |
| InChIKey | KMSXJPWCPOMFNB-UHFFFAOYSA-N |
Product Overview
2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid (CAS 68116-53-0), with molecular formula C18H14O4S and molecular weight 326.06 g/mol. IUPAC: 2-(1-carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid.
Chemical Property Profile of 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid
Property Insights of 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid
The XLogP value of 4.3 indicates that 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid. Following Lipinski's Rule of Five, 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid has 2 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-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid?
The CAS number of 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid is 68116-53-0.
What is the molecular formula of 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid?
The molecular formula of 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid is C18H14O4S.
What is the molecular weight of 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid?
The molecular weight of 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid is 326.06 g/mol.
Where can I buy 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid?
You can request a quote for 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-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 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Carboxy-2-phenylethenyl)sulfanyl-3-phenylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.