Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)
TL;DR: Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) (CAS 102561-46-6) is a chemical compound with molecular formula C29H41NO4S and molecular weight 499.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate
Also Known As: TBAHNS compound, Cid 124610, tri(methoxyethoxyethoxyethoxy)boroxine, Tributylbenzylammonium 4-hydroxynaphthalene-1-sulfonate, benzyltributylammonium 4-hydroxynaphthalene-1-sulfonate
| Molecular Formula | C29H41NO4S |
|---|---|
| Molecular Weight | 499.28 g/mol |
| LogP | 6.8532 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 499.27563 |
| Heavy Atoms | 35 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 102561-46-6 |
|---|---|
| SMILES | CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O |
| InChIKey | XVJXBJTXFXPQAN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) (CAS 102561-46-6), with molecular formula C29H41NO4S and molecular weight 499.28 g/mol. IUPAC: benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate.
Chemical Property Profile of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)
Property Insights of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)
The XLogP value of 6.8532 indicates that Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1). Following Lipinski's Rule of Five, Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)?
The CAS number of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) is 102561-46-6.
What is the molecular formula of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)?
The molecular formula of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) is C29H41NO4S.
What is the molecular weight of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)?
The molecular weight of Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) is 499.28 g/mol.
Where can I buy Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)?
You can request a quote for Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N,N,N-tributyl-, 4-hydroxy-1-naphthalenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.