WV 841
TL;DR: WV 841 (CAS 73771-70-7) is a chemical compound with molecular formula C21H27ClN2O5 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
WV 841
dimethyl-[2-[5-methyl-4-(2-nitrobenzoyl)oxy-2-propan-2-ylphenoxy]ethyl]azanium chloride
Also Known As: WV 841, 5-(2-(N,N-Dimethylamino)ethoxy)carvacrol 2-nitrobenzylate hydrochloride, CARVACROL, 5-(2-(N,N-DIMETHYLAMINO)ETHOXY)-, 2-NITROBENZYLATE, HYDROCHLORIDE, dimethyl-[2-[5-methyl-4-(2-nitrobenzoyl)oxy-2-propan-2-ylphenoxy]ethyl]azanium chloride, Benzeneacetic acid, .alpha.-hydroxy-2-nitro-.alpha.-phenyl-, 4-[2-(dimethylamino)ethoxy]-2-methyl-5-(1-methylethyl)phenyl ester, monohydrochloride
| Molecular Formula | C21H27ClN2O5 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | -0.23 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.16086 |
| Heavy Atoms | 29 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 73771-70-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)C)OCC[NH+](C)C.[Cl-] |
| InChIKey | QKSRANIPUKCHBF-UHFFFAOYSA-N |
Product Overview
WV 841 (CAS 73771-70-7), with molecular formula C21H27ClN2O5 and molecular weight 422.16 g/mol. IUPAC: dimethyl-[2-[5-methyl-4-(2-nitrobenzoyl)oxy-2-propan-2-ylphenoxy]ethyl]azanium chloride.
Chemical Property Profile of WV 841
Property Insights of WV 841
The XLogP value of -0.23 indicates that WV 841 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for WV 841. Following Lipinski's Rule of Five, WV 841 has 1 hydrogen bond donor(s) and 6 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 841?
The CAS number of WV 841 is 73771-70-7.
What is the molecular formula of WV 841?
The molecular formula of WV 841 is C21H27ClN2O5.
What is the molecular weight of WV 841?
The molecular weight of WV 841 is 422.16 g/mol.
Where can I buy WV 841?
You can request a quote for WV 841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WV 841?
Yes, KEHONG BIO provides custom synthesis services for WV 841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.