RefChem:1060504
TL;DR: RefChem:1060504 (CAS 7477-35-2) is a chemical compound with molecular formula C22H34BrNO3 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide alpha-phenyl-3-cyclohexene-1-hydracrylate, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-phenyl-3-cyclohexene-1-hydracrylate, 2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl, 2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium bromide, 2-((3-(Cyclohex-3-en-1-yl)-3-hydroxy-2-phenylpropanoyl)oxy)-N,N-diethyl-N-methylethan-1-aminium bromide
| Molecular Formula | C22H34BrNO3 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 0.521 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 439.1722 |
| Heavy Atoms | 27 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 7477-35-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCC=CC2)O.[Br-] |
| InChIKey | ROARVUHUQSUFIJ-UHFFFAOYSA-M |
Product Overview
RefChem:1060504 (CAS 7477-35-2), with molecular formula C22H34BrNO3 and molecular weight 439.17 g/mol. IUPAC: 2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium bromide.
Chemical Property Profile of RefChem:1060504
Property Insights of RefChem:1060504
The XLogP value of 0.521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060504. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:1060504 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060504 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 RefChem:1060504?
The CAS number of RefChem:1060504 is 7477-35-2.
What is the molecular formula of RefChem:1060504?
The molecular formula of RefChem:1060504 is C22H34BrNO3.
What is the molecular weight of RefChem:1060504?
The molecular weight of RefChem:1060504 is 439.17 g/mol.
Where can I buy RefChem:1060504?
You can request a quote for RefChem:1060504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.