磺基间苯二甲酸
TL;DR: 磺基间苯二甲酸 (CAS 22326-31-4) is a chemical compound with molecular formula C8H6O7S and molecular weight 245.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磺基间苯二甲酸
5-sulfobenzene-1,3-dicarboxylic acid
Also Known As: 5-Sulfoisophthalic acid, 5-Sulphoisophthalic acid, sulfoisophthalic acid, 5-sulfobenzene-1,3-dicarboxylic acid, 5-Sulfoisophthalicacid
| Molecular Formula | C8H6O7S |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.98343 |
| Heavy Atoms | 16 |
| Complexity | 371.0 |
| Melting Point | 258 °C |
Chemical Identifiers
| CAS Number | 22326-31-4 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O |
| InChIKey | CARJPEPCULYFFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磺基间苯二甲酸 (CAS 22326-31-4), with molecular formula C8H6O7S and molecular weight 245.98 g/mol. IUPAC: 5-sulfobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 磺基间苯二甲酸
Property Insights of 磺基间苯二甲酸
The XLogP value of -0.3 indicates that 磺基间苯二甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 磺基间苯二甲酸. Following Lipinski's Rule of Five, 磺基间苯二甲酸 has 3 hydrogen bond donor(s) and 7 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 磺基间苯二甲酸?
The CAS number of 磺基间苯二甲酸 is 22326-31-4.
What is the molecular formula of 磺基间苯二甲酸?
The molecular formula of 磺基间苯二甲酸 is C8H6O7S.
What is the molecular weight of 磺基间苯二甲酸?
The molecular weight of 磺基间苯二甲酸 is 245.98 g/mol.
Where can I buy 磺基间苯二甲酸?
You can request a quote for 磺基间苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磺基间苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 磺基间苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.