1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)
TL;DR: 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) (CAS 65229-11-0) is a chemical compound with molecular formula C8H9NO7S and molecular weight 263.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 3,4-dicarboxybenzenesulfonate
Also Known As: Monoammonium 4-sulfophthalate, k-Strophanthidin,ethoxyacetyl, Ammonium dihydrogen 4-sulphonatophthalate, azanium 3,4-dicarboxybenzenesulfonate, azanium;3,4-dicarboxybenzenesulfonate
| Molecular Formula | C8H9NO7S |
|---|---|
| Molecular Weight | 263.01 g/mol |
| LogP | 0.36 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.00998 |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 65229-11-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O.[NH4+] |
| InChIKey | KOLYQQQBGYNKNZ-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) (CAS 65229-11-0), with molecular formula C8H9NO7S and molecular weight 263.01 g/mol. IUPAC: azanium 3,4-dicarboxybenzenesulfonate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)
Property Insights of 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1). The TPSA of 141.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) 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 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)?
The CAS number of 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) is 65229-11-0.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) is C8H9NO7S.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) is 263.01 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4-sulfo-, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.