2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid
TL;DR: 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid (CAS 91893-72-0) is a chemical compound with molecular formula C10H9NO5S and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)ethanesulfonic acid
Also Known As: 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid, N,N-PHTHALOYL-TAURINE, 4-(Hydroxymethyl)pyrimidine, 2-phthalimidoethanesufonic acid, 2-(1,3-dioxoisoindol-2-yl)ethanesulfonic acid
| Molecular Formula | C10H9NO5S |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.02014 |
| Heavy Atoms | 17 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 91893-72-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCS(=O)(=O)O |
| InChIKey | GSLVEXPADWBUAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid (CAS 91893-72-0), with molecular formula C10H9NO5S and molecular weight 255.02 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)ethanesulfonic acid.
Chemical Property Profile of 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid
Property Insights of 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid. Following Lipinski's Rule of Five, 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid has 1 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 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid?
The CAS number of 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid is 91893-72-0.
What is the molecular formula of 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid?
The molecular formula of 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid is C10H9NO5S.
What is the molecular weight of 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid?
The molecular weight of 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid is 255.02 g/mol.
Where can I buy 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid?
You can request a quote for 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxoisoindolin-2-yl)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.