Diisobutylnaphthalenesulfonate
TL;DR: Diisobutylnaphthalenesulfonate (CAS 52627-01-7) is a chemical compound with molecular formula C18H23O3S- and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(2-methylpropyl)naphthalene-1-sulfonate
Also Known As: Nekal BX, Diisobutylnaphthalenesulfonate, 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate, Sodium di-sec-butyl-2-naphthalenesulfonate, 2-Naphthalenesulfonicacid, bis(1-methylpropyl)-, sodium salt (1:1)
| Molecular Formula | C18H23O3S- |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 4.1409 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.13678 |
| Heavy Atoms | 22 |
| Complexity | 774.264 |
Chemical Identifiers
| CAS Number | 52627-01-7 |
|---|---|
| SMILES | CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)[O-] |
Product Overview
Diisobutylnaphthalenesulfonate (CAS 52627-01-7), with molecular formula C18H23O3S- and molecular weight 319.14 g/mol. IUPAC: 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate.
Chemical Property Profile of Diisobutylnaphthalenesulfonate
Property Insights of Diisobutylnaphthalenesulfonate
The XLogP value of 4.1409 indicates that Diisobutylnaphthalenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Diisobutylnaphthalenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutylnaphthalenesulfonate has 0 hydrogen bond donor(s) and 3 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 Diisobutylnaphthalenesulfonate?
The CAS number of Diisobutylnaphthalenesulfonate is 52627-01-7.
What is the molecular formula of Diisobutylnaphthalenesulfonate?
The molecular formula of Diisobutylnaphthalenesulfonate is C18H23O3S-.
What is the molecular weight of Diisobutylnaphthalenesulfonate?
The molecular weight of Diisobutylnaphthalenesulfonate is 319.14 g/mol.
Where can I buy Diisobutylnaphthalenesulfonate?
You can request a quote for Diisobutylnaphthalenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutylnaphthalenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Diisobutylnaphthalenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.