![[4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate structure](/static/products/3314/331460-88-9.webp)
[4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate
TL;DR: [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate (CAS 331460-88-9) is a chemical compound with molecular formula C22H15ClO6S and molecular weight 442.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate
Also Known As: [4-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate, 4-[3-(1,3-benzodioxol-5-yl)acryloyl]phenyl 4-chlorobenzenesulfonate
| Molecular Formula | C22H15ClO6S |
|---|---|
| Molecular Weight | 442.03 g/mol |
| LogP | 4.7325 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0278 |
| Heavy Atoms | 30 |
| Complexity | 1215.4875 |
Chemical Identifiers
| CAS Number | 331460-88-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
[4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate (CAS 331460-88-9), with molecular formula C22H15ClO6S and molecular weight 442.03 g/mol. IUPAC: [4-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate
Property Insights of [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate
The XLogP value of 4.7325 indicates that [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate has 0 hydrogen bond donor(s) and 6 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 [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate?
The CAS number of [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate is 331460-88-9.
What is the molecular formula of [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate?
The molecular formula of [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate is C22H15ClO6S.
What is the molecular weight of [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate?
The molecular weight of [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate is 442.03 g/mol.
Where can I buy [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate?
You can request a quote for [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.