![2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid structure](/static/products/6535/653588-55-7.webp)
2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid
TL;DR: 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid (CAS 653588-55-7) is a chemical compound with molecular formula C15H12O6S and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylacetic acid
Also Known As: 2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylacetic acid, Acetic acid, [[4-(1,3-benzodioxol-5-yl)phenyl]sulfonyl]-, (4-Benzo[1,3]dioxol-5-yl-benzenesulfonyl)-acetic acid, Acetic acid,[[4-(1,3-benzodioxol-5-yl)phenyl]sulfonyl], [4-(2H-1,3-Benzodioxol-5-yl)benzene-1-sulfonyl]acetic acid
| Molecular Formula | C15H12O6S |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.03546 |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 653588-55-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)CC(=O)O |
| InChIKey | BTWIKWLZLWUPEG-UHFFFAOYSA-N |
Product Overview
2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid (CAS 653588-55-7), with molecular formula C15H12O6S and molecular weight 320.04 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-yl)phenyl]sulfonylacetic acid.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid
Property Insights of 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid has 1 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 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid?
The CAS number of 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid is 653588-55-7.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid is C15H12O6S.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid is 320.04 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-yl)phenyl]sulfonylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.