Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)
TL;DR: Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) (CAS 3312-96-7) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-butylnaphthalene-1-sulfonate
Also Known As: Ammonium butylnaphthalenesulphonate, Ammonium butylnaphthalenesulfonate, Butylnaphthalenesulfonic acid ammonium salt, Butylnaphthalenesulfonic acid, ammonium salt, ammonium 2-butylnaphthalene-1-sulfonate
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.4627 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 3312-96-7 |
|---|---|
| SMILES | CCCCC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[NH4+] |
| InChIKey | JMBFLNGHLUPPOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) (CAS 3312-96-7), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: azanium 2-butylnaphthalene-1-sulfonate.
Chemical Property Profile of Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)
Property Insights of Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)
The XLogP value of 3.4627 indicates that Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalenesulfonic acid, butyl-, ammonium salt (1:1). Following Lipinski's Rule of Five, Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) has 1 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 Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)?
The CAS number of Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) is 3312-96-7.
What is the molecular formula of Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)?
The molecular formula of Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) is C14H19NO3S.
What is the molecular weight of Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)?
The molecular weight of Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) is 281.11 g/mol.
Where can I buy Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)?
You can request a quote for Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalenesulfonic acid, butyl-, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Naphthalenesulfonic acid, butyl-, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.