BUTYLBENZENESULFONIC ACID, SODIUM SALT
TL;DR: BUTYLBENZENESULFONIC ACID, SODIUM SALT (CAS 26746-29-2) is a chemical compound with molecular formula C30H39Na3O9S3 and molecular weight 708.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonate
Also Known As: BUTYLBENZENESULFONIC ACID, SODIUM SALT, trisodium; 2-butylbenzenesulfonate; 3-butylbenzenesulfonate; 4-butylbenzenesulfonate, trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonate, Sodium 2-butylbenzene-1-sulfonate 3-butylbenzene-1-sulfonate 4-butylbenzene-1-sulfonate (3/1/1/1)
| Molecular Formula | C30H39Na3O9S3 |
|---|---|
| Molecular Weight | 708.14 g/mol |
| LogP | -3.19 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 708.14496 |
| Heavy Atoms | 45 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 26746-29-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | NJKABEAGDZKYCV-UHFFFAOYSA-K |
Product Overview
BUTYLBENZENESULFONIC ACID, SODIUM SALT (CAS 26746-29-2), with molecular formula C30H39Na3O9S3 and molecular weight 708.14 g/mol. IUPAC: trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonate.
Chemical Property Profile of BUTYLBENZENESULFONIC ACID, SODIUM SALT
Property Insights of BUTYLBENZENESULFONIC ACID, SODIUM SALT
The XLogP value of -3.19 indicates that BUTYLBENZENESULFONIC ACID, SODIUM SALT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting BUTYLBENZENESULFONIC ACID, SODIUM SALT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BUTYLBENZENESULFONIC ACID, SODIUM SALT has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BUTYLBENZENESULFONIC ACID, SODIUM SALT?
The CAS number of BUTYLBENZENESULFONIC ACID, SODIUM SALT is 26746-29-2.
What is the molecular formula of BUTYLBENZENESULFONIC ACID, SODIUM SALT?
The molecular formula of BUTYLBENZENESULFONIC ACID, SODIUM SALT is C30H39Na3O9S3.
What is the molecular weight of BUTYLBENZENESULFONIC ACID, SODIUM SALT?
The molecular weight of BUTYLBENZENESULFONIC ACID, SODIUM SALT is 708.14 g/mol.
Where can I buy BUTYLBENZENESULFONIC ACID, SODIUM SALT?
You can request a quote for BUTYLBENZENESULFONIC ACID, SODIUM SALT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BUTYLBENZENESULFONIC ACID, SODIUM SALT?
Yes, KEHONG BIO provides custom synthesis services for BUTYLBENZENESULFONIC ACID, SODIUM SALT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.