1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2)
TL;DR: 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) (CAS 68003-45-2) is a chemical compound with molecular formula C20H28Na2O7S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-dodecoxycarbonyl-4-sulfonatobenzoate
Also Known As: Disodium 2-dodecyl 4-sulphonatophthalate, disodium 2-[(dodecyloxy)carbonyl]-4-sulfonatobenzoate, disodium 2-dodecoxycarbonyl-4-sulfonatobenzoate, 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, disodium salt, Sodium 2-((dodecyloxy)carbonyl)-4-sulfonatobenzoate
| Molecular Formula | C20H28Na2O7S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | -2.96 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 458.1351 |
| Heavy Atoms | 30 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 68003-45-2 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| InChIKey | FKUITBKKFLKVMS-UHFFFAOYSA-L |
Product Overview
1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) (CAS 68003-45-2), with molecular formula C20H28Na2O7S and molecular weight 458.14 g/mol. IUPAC: disodium;2-dodecoxycarbonyl-4-sulfonatobenzoate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2)
Property Insights of 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2)
The XLogP value of -2.96 indicates that 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2). Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) has 0 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-, 2-dodecyl ester, sodium salt (1:2)?
The CAS number of 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) is 68003-45-2.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2)?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) is C20H28Na2O7S.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2)?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) is 458.14 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2)?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) 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-, 2-dodecyl ester, sodium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4-sulfo-, 2-dodecyl ester, sodium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.