5-(3-Sulphopropoxy)isophthalic acid
TL;DR: 5-(3-Sulphopropoxy)isophthalic acid (CAS 93820-01-0) is a chemical compound with molecular formula C11H12O8S and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid
Also Known As: 5-(3-Sulphopropoxy)isophthalic acid, EINECS 298-585-2, 5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid, 5-(3-SULFOPROPOXY)ISOPHTHALIC ACID, 5-(3-Sulfopropoxy)-1,3-benzenedicarboxylic acid
| Molecular Formula | C11H12O8S |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 0.7397 |
| Topological Polar Surface Area | 138.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.0253 |
| Heavy Atoms | 20 |
| Complexity | 587.06036 |
Chemical Identifiers
| CAS Number | 93820-01-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)O)C(=O)O |
Product Overview
5-(3-Sulphopropoxy)isophthalic acid (CAS 93820-01-0), with molecular formula C11H12O8S and molecular weight 304.03 g/mol. IUPAC: 5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(3-Sulphopropoxy)isophthalic acid
Property Insights of 5-(3-Sulphopropoxy)isophthalic acid
The XLogP value of 0.7397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Sulphopropoxy)isophthalic acid. The TPSA of 138.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Sulphopropoxy)isophthalic acid. Following Lipinski's Rule of Five, 5-(3-Sulphopropoxy)isophthalic acid has 3 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 5-(3-Sulphopropoxy)isophthalic acid?
The CAS number of 5-(3-Sulphopropoxy)isophthalic acid is 93820-01-0.
What is the molecular formula of 5-(3-Sulphopropoxy)isophthalic acid?
The molecular formula of 5-(3-Sulphopropoxy)isophthalic acid is C11H12O8S.
What is the molecular weight of 5-(3-Sulphopropoxy)isophthalic acid?
The molecular weight of 5-(3-Sulphopropoxy)isophthalic acid is 304.03 g/mol.
Where can I buy 5-(3-Sulphopropoxy)isophthalic acid?
You can request a quote for 5-(3-Sulphopropoxy)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Sulphopropoxy)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Sulphopropoxy)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.