Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride
TL;DR: Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride (CAS 96072-76-3) is a chemical compound with molecular formula C26H30ClNO2 and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,2-diphenylacetyl)oxy-1-phenylethyl]-diethylazanium chloride
Also Known As: FC 612, Diphenylacetic acid beta-(diethylamino)phenethyl ester hydrochloride, [2-(2,2-diphenylacetyl)oxy-1-phenylethyl]-diethylazanium chloride, ACETIC ACID, DIPHENYL-, beta-(DIETHYLAMINO)PHENETHYL ESTER, HYDROCHLORIDE
| Molecular Formula | C26H30ClNO2 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 1.03 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 423.1965 |
| Heavy Atoms | 30 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 96072-76-3 |
|---|---|
| SMILES | CC[NH+](CC)C(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | RFDPOPLETTZCDZ-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride (CAS 96072-76-3), with molecular formula C26H30ClNO2 and molecular weight 423.20 g/mol. IUPAC: [2-(2,2-diphenylacetyl)oxy-1-phenylethyl]-diethylazanium chloride.
Chemical Property Profile of Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride
Property Insights of Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride
The XLogP value of 1.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 30.7 Ų, Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride?
The CAS number of Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride is 96072-76-3.
What is the molecular formula of Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride?
The molecular formula of Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride is C26H30ClNO2.
What is the molecular weight of Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride?
The molecular weight of Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride is 423.20 g/mol.
Where can I buy Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride?
You can request a quote for Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.