1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)
TL;DR: 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) (CAS 67953-30-4) 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.
azane;4-butylnaphthalene-1-sulfonic acid
Also Known As: Ammonium 4-butylnaphthalene-1-sulphonate, ammonium 4-butylnaphthalene-1-sulfonate, azane; 4-butylnaphthalene-1-sulfonic acid, 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt, 4-Butylnaphthalene-1-sulfonic acid--ammonia (1/1)
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.59 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 67953-30-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C2=CC=CC=C12)S(=O)(=O)O.N |
| InChIKey | SHGFGWXMCXHUND-UHFFFAOYSA-N |
Product Overview
1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) (CAS 67953-30-4), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: azane;4-butylnaphthalene-1-sulfonic acid.
Chemical Property Profile of 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)
Property Insights of 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)
The XLogP value of 3.59 indicates that 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1). Following Lipinski's Rule of Five, 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) 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 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)?
The CAS number of 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) is 67953-30-4.
What is the molecular formula of 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)?
The molecular formula of 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) is C14H19NO3S.
What is the molecular weight of 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)?
The molecular weight of 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) is 281.11 g/mol.
Where can I buy 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)?
You can request a quote for 1-Naphthalenesulfonic acid, 4-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 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenesulfonic acid, 4-butyl-, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.