2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate
TL;DR: 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate (CAS 13002-45-4) is a chemical compound with molecular formula C30H41NO5S and molecular weight 527.27 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-methyl-dipropylazanium;4-methylbenzenesulfonate
Also Known As: 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate, Benzhydrol, 2-(3-(dipropylamino)propoxy)-, methyl toluenesulfonate, Dipropyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methylammonium toluenesulfonate, Ammonium, dipropyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methyl-, toluenesulfonate, 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium; 4-methylbenzenesulfonate
| Molecular Formula | C30H41NO5S |
|---|---|
| Molecular Weight | 527.27 g/mol |
| LogP | 5.70292 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 527.27057 |
| Heavy Atoms | 37 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 13002-45-4 |
|---|---|
| SMILES | CCC[N+](C)(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | DEXNQMMOWZRSDQ-UHFFFAOYSA-M |
Product Overview
2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate (CAS 13002-45-4), with molecular formula C30H41NO5S and molecular weight 527.27 g/mol. IUPAC: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate
Property Insights of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate
The XLogP value of 5.70292 indicates that 2-(3-(Dipropylamino)propoxy)benzhydrol methyl 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 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate. Following Lipinski's Rule of Five, 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate?
The CAS number of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate is 13002-45-4.
What is the molecular formula of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate?
The molecular formula of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate is C30H41NO5S.
What is the molecular weight of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate?
The molecular weight of 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate is 527.27 g/mol.
Where can I buy 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate?
You can request a quote for 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.