4-磺基邻苯二甲酸铵盐
TL;DR: 4-磺基邻苯二甲酸铵盐 (CAS 59175-03-0) is a chemical compound with molecular formula C8H15N3O7S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-磺基邻苯二甲酸铵盐
triazanium;4-sulfonatophthalate
Also Known As: triazanium, 4-Sulphophthalic acid, ammonium salt, Triammonium 4-Sulfophthalate, 4-Sulfophthalic acid triammonium salt, triazanium;4-sulfonatophthalate
| Molecular Formula | C8H15N3O7S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | -1.5537 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.06308 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 59175-03-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+] |
| InChIKey | RMPQIFXEQFYSEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-磺基邻苯二甲酸铵盐 (CAS 59175-03-0), with molecular formula C8H15N3O7S and molecular weight 297.06 g/mol. IUPAC: triazanium;4-sulfonatophthalate.
Chemical Property Profile of 4-磺基邻苯二甲酸铵盐
Property Insights of 4-磺基邻苯二甲酸铵盐
The XLogP value of -1.5537 indicates that 4-磺基邻苯二甲酸铵盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 4-磺基邻苯二甲酸铵盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-磺基邻苯二甲酸铵盐 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 4-磺基邻苯二甲酸铵盐?
The CAS number of 4-磺基邻苯二甲酸铵盐 is 59175-03-0.
What is the molecular formula of 4-磺基邻苯二甲酸铵盐?
The molecular formula of 4-磺基邻苯二甲酸铵盐 is C8H15N3O7S.
What is the molecular weight of 4-磺基邻苯二甲酸铵盐?
The molecular weight of 4-磺基邻苯二甲酸铵盐 is 297.06 g/mol.
Where can I buy 4-磺基邻苯二甲酸铵盐?
You can request a quote for 4-磺基邻苯二甲酸铵盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-磺基邻苯二甲酸铵盐?
Yes, KEHONG BIO provides custom synthesis services for 4-磺基邻苯二甲酸铵盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.