RefChem:1075691
TL;DR: RefChem:1075691 (CAS 27722-01-6) is a chemical compound with molecular formula C27H32ClNO3 and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-methyl-(2-phenylethyl)azanium chloride
Also Known As: Ethoxydiphenylacetic acid 2-(methylphenethylamino)ethyl ester hydrochloride, Acetic acid, 2,2-diphenyl-2-ethoxy-, 2-(methylphenethylamino)ethyl ester, hydrochloride, 2,2-Diphenyl-2-ethoxy-acetic acid 2-(methylphenethylamino)ethyl ester hydrochloride, 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-methyl-phenethylazanium chloride, RefChem:1075691
| Molecular Formula | C27H32ClNO3 |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 453.20706 |
| Heavy Atoms | 32 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 27722-01-6 |
|---|---|
| SMILES | CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[NH+](C)CCC3=CC=CC=C3.[Cl-] |
| InChIKey | WYLUMBNQGVLBAY-UHFFFAOYSA-N |
Product Overview
RefChem:1075691 (CAS 27722-01-6), with molecular formula C27H32ClNO3 and molecular weight 453.21 g/mol. IUPAC: 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-methyl-(2-phenylethyl)azanium chloride.
Chemical Property Profile of RefChem:1075691
Property Insights of RefChem:1075691
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075691. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:1075691 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075691 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:1075691?
The CAS number of RefChem:1075691 is 27722-01-6.
What is the molecular formula of RefChem:1075691?
The molecular formula of RefChem:1075691 is C27H32ClNO3.
What is the molecular weight of RefChem:1075691?
The molecular weight of RefChem:1075691 is 453.21 g/mol.
Where can I buy RefChem:1075691?
You can request a quote for RefChem:1075691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075691?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.