Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate
TL;DR: Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate (CAS 13002-43-2) is a chemical compound with molecular formula C26H33NO5S and molecular weight 471.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: 2-(3-(Dimethylamino)propoxy)benzhydrol methyl toluenesulfonate, Benzhydrol, 2-(3-(dimethylamino)propoxy)-, methyl toluenesulfonate, AMMONIUM, (3-(2-(alpha-HYDROXYBENZYL)PHENOXY)PROPYL)TRIMETHYL-, TOLUENESULFONATE, (3-(2-(alpha-Hydroxybenzyl)phenoxy)propyl)trimethylammonium toluene sulfonate, 2-(3-(Dimethylamino)propoxy)benzhydrolmethyltoluenesulfonate
| Molecular Formula | C26H33NO5S |
|---|---|
| Molecular Weight | 471.21 g/mol |
| LogP | 4.14 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.20795 |
| Heavy Atoms | 33 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 13002-43-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O |
| InChIKey | OCCWZDXGPMAWFI-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate (CAS 13002-43-2), with molecular formula C26H33NO5S and molecular weight 471.21 g/mol. IUPAC: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate
Property Insights of Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate
The XLogP value of 4.14 indicates that Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate. Following Lipinski's Rule of Five, Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate has 1 hydrogen bond donor(s) and 5 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 Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate?
The CAS number of Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate is 13002-43-2.
What is the molecular formula of Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate?
The molecular formula of Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate is C26H33NO5S.
What is the molecular weight of Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate?
The molecular weight of Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate is 471.21 g/mol.
Where can I buy Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate?
You can request a quote for Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.