Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate
TL;DR: Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate (CAS 39315-52-1) is a chemical compound with molecular formula C18H24NaO3S+ and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2,6-ditert-butylnaphthalene-1-sulfonic acid
Also Known As: Dibunate sodium, Dibunato sodico, Natrii dibunas, Dibunate de sodium, Dibunate sodium [INN]
| Molecular Formula | C18H24NaO3S+ |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | 1.6855 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.1344 |
| Heavy Atoms | 23 |
| Complexity | 825.6911 |
Chemical Identifiers
| CAS Number | 39315-52-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=C(C=C2)C(C)(C)C)S(=O)(=O)O.[Na+] |
Product Overview
Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate (CAS 39315-52-1), with molecular formula C18H24NaO3S+ and molecular weight 343.13 g/mol. IUPAC: sodium 2,6-ditert-butylnaphthalene-1-sulfonic acid.
Chemical Property Profile of Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate
Property Insights of Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate
The XLogP value of 1.6855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate. With a topological polar surface area (TPSA) of 54.37 Ų, Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate has 1 hydrogen bond donor(s) and 2 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 Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate?
The CAS number of Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate is 39315-52-1.
What is the molecular formula of Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate?
The molecular formula of Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate is C18H24NaO3S+.
What is the molecular weight of Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate?
The molecular weight of Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate is 343.13 g/mol.
Where can I buy Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate?
You can request a quote for Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.