WV 844
TL;DR: WV 844 (CAS 73771-69-4) is a chemical compound with molecular formula C21H27BrClNO3 and molecular weight 455.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
WV 844
2-[4-(4-bromobenzoyl)oxy-5-methyl-2-propan-2-ylphenoxy]ethyl-dimethylazanium chloride
Also Known As: WV 844, 5-(2-(N,N-Dimethylamino)ethoxy)carvacrol p-bromobenzylate hydrochloride, CARVACROL, 5-(2-(N,N-DIMETHYLAMINO)ETHOXY)-, p-BROMOBENZYLATE, HYDROCHLORIDE, 2-[4-(4-bromobenzoyl)oxy-5-methyl-2-propan-2-ylphenoxy]ethyl-dimethylazanium chloride, Benzeneacetic acid, 4-bromo-.alpha.-hydroxy-.alpha.-phenyl-, 4-[2-(dimethylamino)ethoxy]-2-methyl-5-(1-methylethyl)phenyl ester, hydrochloride
| Molecular Formula | C21H27BrClNO3 |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 0.63 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08627 |
| Heavy Atoms | 27 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 73771-69-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CC=C(C=C2)Br)C(C)C)OCC[NH+](C)C.[Cl-] |
| InChIKey | IRRRIJZJCZRDRF-UHFFFAOYSA-N |
Product Overview
WV 844 (CAS 73771-69-4), with molecular formula C21H27BrClNO3 and molecular weight 455.09 g/mol. IUPAC: 2-[4-(4-bromobenzoyl)oxy-5-methyl-2-propan-2-ylphenoxy]ethyl-dimethylazanium chloride.
Chemical Property Profile of WV 844
Property Insights of WV 844
The XLogP value of 0.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WV 844. With a topological polar surface area (TPSA) of 40.0 Ų, WV 844 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WV 844 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 844?
The CAS number of WV 844 is 73771-69-4.
What is the molecular formula of WV 844?
The molecular formula of WV 844 is C21H27BrClNO3.
What is the molecular weight of WV 844?
The molecular weight of WV 844 is 455.09 g/mol.
Where can I buy WV 844?
You can request a quote for WV 844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WV 844?
Yes, KEHONG BIO provides custom synthesis services for WV 844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.