![3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid structure](/static/products/7867/786729-12-2.webp)
3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
TL;DR: 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid (CAS 786729-12-2) is a chemical compound with molecular formula C14H19NO5S and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
Also Known As: 3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid, (E)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid, (2E)-3-[3-(TERT-BUTYLSULFAMOYL)-4-METHOXYPHENYL]PROP-2-ENOIC ACID, (2E)-3-{3-[(tert-butylamino)sulfonyl]-4-methoxyphenyl}acrylic acid, 3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoicacid
| Molecular Formula | C14H19NO5S |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 1.8698 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0984 |
| Heavy Atoms | 21 |
| Complexity | 656.4322 |
Chemical Identifiers
| CAS Number | 786729-12-2 |
|---|---|
| SMILES | CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)O)OC |
Product Overview
3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid (CAS 786729-12-2), with molecular formula C14H19NO5S and molecular weight 313.10 g/mol. IUPAC: (E)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
Property Insights of 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
The XLogP value of 1.8698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid has 2 hydrogen bond donor(s) and 4 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-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid?
The CAS number of 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid is 786729-12-2.
What is the molecular formula of 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid?
The molecular formula of 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid is C14H19NO5S.
What is the molecular weight of 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid?
The molecular weight of 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid is 313.10 g/mol.
Where can I buy 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid?
You can request a quote for 3-[3-(Tert-butylsulfamoyl)-4-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-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(Tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.