4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid
TL;DR: 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid (CAS 4481-44-1) is a chemical compound with molecular formula C12H13NO5S and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)butane-1-sulfonic acid
Also Known As: 4-phthalimido-butane-1-sulfonic acid, 4-(1,3-dioxoisoindol-2-yl)butane-1-sulfonic Acid
| Molecular Formula | C12H13NO5S |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 0.9506 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.05145 |
| Heavy Atoms | 19 |
| Complexity | 587.76184 |
Chemical Identifiers
| CAS Number | 4481-44-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCS(=O)(=O)O |
Product Overview
4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid (CAS 4481-44-1), with molecular formula C12H13NO5S and molecular weight 283.05 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)butane-1-sulfonic acid.
Chemical Property Profile of 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid
Property Insights of 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid
The XLogP value of 0.9506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid. Following Lipinski's Rule of Five, 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid has 1 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 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid?
The CAS number of 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid is 4481-44-1.
What is the molecular formula of 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid?
The molecular formula of 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid is C12H13NO5S.
What is the molecular weight of 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid?
The molecular weight of 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid is 283.05 g/mol.
Where can I buy 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid?
You can request a quote for 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dioxoisoindol-2-yl)butane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.