3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid
TL;DR: 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid (CAS 47486-75-9) is a chemical compound with molecular formula C18H24O6S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-ditert-butylnaphthalene-1,5-disulfonic acid
Also Known As: DISODIUM DIBUNATE, EINECS 256-319-2, 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid, 3,7-ditert-butylnaphthalene-1,5-disulfonic acid, 3,7-DI-TERT-BUTYLNAPHTHALENE-1,5-DISULFONIC ACID
| Molecular Formula | C18H24O6S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.9282 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.10144 |
| Heavy Atoms | 26 |
| Complexity | 993.9232 |
Chemical Identifiers
| CAS Number | 47486-75-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C(C=C2S(=O)(=O)O)C(C)(C)C)C(=C1)S(=O)(=O)O |
Product Overview
3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid (CAS 47486-75-9), with molecular formula C18H24O6S2 and molecular weight 400.10 g/mol. IUPAC: 3,7-ditert-butylnaphthalene-1,5-disulfonic acid.
Chemical Property Profile of 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid
Property Insights of 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid
The XLogP value of 3.9282 indicates that 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid. Following Lipinski's Rule of Five, 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid has 2 hydrogen bond donor(s) and 4 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 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid?
The CAS number of 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid is 47486-75-9.
What is the molecular formula of 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid?
The molecular formula of 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid is C18H24O6S2.
What is the molecular weight of 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid?
The molecular weight of 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid is 400.10 g/mol.
Where can I buy 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid?
You can request a quote for 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Di-tert-butylnaphthalene-1,5-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.