WV 796
TL;DR: WV 796 (CAS 16825-87-9) is a chemical compound with molecular formula C18H29Cl2NO3 and molecular weight 377.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
WV 796
2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylazanium chloride
Also Known As: WV 796, 5-(2-(N-(2-Chloroethyl)-N-ethylamino)ethoxy)carvacrol acetate hydrochloride, 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylazanium chloride, CARVACROL, 5-(2-(N-(2-CHLOROETHYL)-N-ETHYLAMINO)ETHOXY)-, ACETATE, HYDROCHLORIDE, Carvacrol, 5-[2-[(2-chloroethyl)ethylamino]ethoxy]-, acetate ester, hydrochloride
| Molecular Formula | C18H29Cl2NO3 |
|---|---|
| Molecular Weight | 377.15 g/mol |
| LogP | -0.43 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 377.15244 |
| Heavy Atoms | 24 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 16825-87-9 |
|---|---|
| SMILES | CC[NH+](CCOC1=C(C=C(C(=C1)C)OC(=O)C)C(C)C)CCCl.[Cl-] |
| InChIKey | VOKBSNAQIFOZKY-UHFFFAOYSA-N |
Product Overview
WV 796 (CAS 16825-87-9), with molecular formula C18H29Cl2NO3 and molecular weight 377.15 g/mol. IUPAC: 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylazanium chloride.
Chemical Property Profile of WV 796
Property Insights of WV 796
The XLogP value of -0.43 indicates that WV 796 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, WV 796 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WV 796 has 1 hydrogen bond donor(s) and 4 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 WV 796?
The CAS number of WV 796 is 16825-87-9.
What is the molecular formula of WV 796?
The molecular formula of WV 796 is C18H29Cl2NO3.
What is the molecular weight of WV 796?
The molecular weight of WV 796 is 377.15 g/mol.
Where can I buy WV 796?
You can request a quote for WV 796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WV 796?
Yes, KEHONG BIO provides custom synthesis services for WV 796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.