![(2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid structure](/static/products/3270/327094-44-0.webp)
(2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid
TL;DR: (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid (CAS 327094-44-0) is a chemical compound with molecular formula C18H17NO6S and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methylphenyl]prop-2-enoic acid
Also Known As: (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid, (E)-3-(3-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)-4-methylphenyl)acrylic acid, (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methylphenyl]prop-2-enoic acid, 3-[3-(benzo[1,3]dioxol-5-ylmethylsulfamoyl)-4-methyl-phenyl]prop-2-enoic Acid, (2E)-3-(3-{[(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino]sulfonyl}-4-methylph enyl)prop-2-enoic acid
| Molecular Formula | C18H17NO6S |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 2.30002 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.07767 |
| Heavy Atoms | 26 |
| Complexity | 981.171 |
Chemical Identifiers
| CAS Number | 327094-44-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
(2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid (CAS 327094-44-0), with molecular formula C18H17NO6S and molecular weight 375.08 g/mol. IUPAC: (E)-3-[3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methylphenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid
Property Insights of (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid
The XLogP value of 2.30002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-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 (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid?
The CAS number of (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid is 327094-44-0.
What is the molecular formula of (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid?
The molecular formula of (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid is C18H17NO6S.
What is the molecular weight of (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid?
The molecular weight of (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid is 375.08 g/mol.
Where can I buy (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid?
You can request a quote for (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}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 (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4-methylphenyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.