RefChem:318836
TL;DR: RefChem:318836 (CAS 7387-95-3) is a chemical compound with molecular formula C32H37NO5S and molecular weight 547.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: 2-(3-(Dimethylamino)propoxy)-alpha-phenylbenzhydrol methyl toluenesulfonate, Ammonium, (3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate, Benzhydrol, 2-(3-(dimethylamino)propoxy)-alpha-phenyl-, methyl toluenesulfonate, (3-(2-(alpha-Hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethylammonium toluenesulfonate, 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylazanium; 4-methylbenzenesulfonate
| Molecular Formula | C32H37NO5S |
|---|---|
| Molecular Weight | 547.24 g/mol |
| LogP | 5.34502 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.23926 |
| Heavy Atoms | 39 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 7387-95-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | ZDNKMBGDYYNHDF-UHFFFAOYSA-M |
Product Overview
RefChem:318836 (CAS 7387-95-3), with molecular formula C32H37NO5S and molecular weight 547.24 g/mol. IUPAC: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:318836
Property Insights of RefChem:318836
The XLogP value of 5.34502 indicates that RefChem:318836 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 RefChem:318836. Following Lipinski's Rule of Five, RefChem:318836 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 RefChem:318836?
The CAS number of RefChem:318836 is 7387-95-3.
What is the molecular formula of RefChem:318836?
The molecular formula of RefChem:318836 is C32H37NO5S.
What is the molecular weight of RefChem:318836?
The molecular weight of RefChem:318836 is 547.24 g/mol.
Where can I buy RefChem:318836?
You can request a quote for RefChem:318836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318836?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.