WV 798
TL;DR: WV 798 (CAS 73771-66-1) is a chemical compound with molecular formula C26H34ClNO8S2 and molecular weight 587.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
WV 798
2-chloroethyl-ethyl-[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl]azanium;5-sulfonaphthalene-1-sulfonate
Also Known As: 5-(2-(N-(2-Chloroethyl)-N-ethylamino)ethoxy)carvacrol 1,5-naphthalenedisulfonate, Carvacrol, 5-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, 1,5-naphthalenedisulfonate, 2-chloroethyl-ethyl-[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl]azanium; 5-sulfonaphthalene-1-sulfonate, 1,5-Naphthalenedisulfonic acid, bis[4-[2-[(2-chloroethyl)ethylamino]ethoxy]-2-methyl-5-(1-methylethyl)phenyl] ester, 2-Chloro-N-ethyl-N-{2-[4-hydroxy-5-methyl-2-(propan-2-yl)phenoxy]ethyl}ethan-1-aminium 5-sulfonaphthalene-1-sulfonate
| Molecular Formula | C26H34ClNO8S2 |
|---|---|
| Molecular Weight | 587.14 g/mol |
| LogP | 3.34 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 587.1414 |
| Heavy Atoms | 38 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 73771-66-1 |
|---|---|
| SMILES | CC[NH+](CCOC1=C(C=C(C(=C1)C)O)C(C)C)CCCl.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O |
| InChIKey | FGIRPPYYUKPXNB-UHFFFAOYSA-N |
Product Overview
WV 798 (CAS 73771-66-1), with molecular formula C26H34ClNO8S2 and molecular weight 587.14 g/mol. IUPAC: 2-chloroethyl-ethyl-[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl]azanium;5-sulfonaphthalene-1-sulfonate.
Chemical Property Profile of WV 798
Property Insights of WV 798
The XLogP value of 3.34 indicates that WV 798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting WV 798 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WV 798 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WV 798?
The CAS number of WV 798 is 73771-66-1.
What is the molecular formula of WV 798?
The molecular formula of WV 798 is C26H34ClNO8S2.
What is the molecular weight of WV 798?
The molecular weight of WV 798 is 587.14 g/mol.
Where can I buy WV 798?
You can request a quote for WV 798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WV 798?
Yes, KEHONG BIO provides custom synthesis services for WV 798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.