![3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid structure](/static/products/5685/568567-08-8.webp)
3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid
TL;DR: 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid (CAS 568567-08-8) is a chemical compound with molecular formula C18H18O6S and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoic acid
Also Known As: 3-{4-[(2,5-dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid, (2E)-3-(4-{[(2,5-dimethylphenyl)sulfonyl]oxy}-3-methoxyphenyl)acrylic acid, (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoic acid, (2E)-3-{4-[(2,5-DIMETHYLBENZENESULFONYL)OXY]-3-METHOXYPHENYL}PROP-2-ENOIC ACID, 3-(4-(((2,5-Dimethylphenyl)sulfonyl)oxy)-3-methoxyphenyl)acrylic acid
| Molecular Formula | C18H18O6S |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 3.17754 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.0824 |
| Heavy Atoms | 25 |
| Complexity | 928.57764 |
Chemical Identifiers
| CAS Number | 568567-08-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)O)OC |
Product Overview
3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid (CAS 568567-08-8), with molecular formula C18H18O6S and molecular weight 362.08 g/mol. IUPAC: (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid
Property Insights of 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid
The XLogP value of 3.17754 indicates that 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid. Following Lipinski's Rule of Five, 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic 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 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid?
The CAS number of 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid is 568567-08-8.
What is the molecular formula of 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid?
The molecular formula of 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid is C18H18O6S.
What is the molecular weight of 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid?
The molecular weight of 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid is 362.08 g/mol.
Where can I buy 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid?
You can request a quote for 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}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-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[(2,5-Dimethylbenzenesulfonyl)oxy]-3-methoxyphenyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.