Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride
TL;DR: Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride (CAS 3213-44-3) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-diphenylacetyl)oxypropyl-diethylazanium chloride
Also Known As: Diphenylacetic acid 2-(diethylamino)-1-methylethyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 2-(DIETHYLAMINO)-1-METHYLETHYL ESTER, HYDROCHLORIDE, 2-(2,2-diphenylacetyl)oxypropyl-diethylazanium chloride, Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester hydrochloride, RefChem:1075796
| Molecular Formula | C21H28ClNO2 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | -0.32 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.18085 |
| Heavy Atoms | 25 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 3213-44-3 |
|---|---|
| SMILES | CC[NH+](CC)CC(C)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-] |
| InChIKey | BRSBHYWFYBOUGG-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride (CAS 3213-44-3), with molecular formula C21H28ClNO2 and molecular weight 361.18 g/mol. IUPAC: 2-(2,2-diphenylacetyl)oxypropyl-diethylazanium chloride.
Chemical Property Profile of Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride
Property Insights of Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride
The XLogP value of -0.32 indicates that Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl 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-, 2-(diethylamino)-1-methylethyl ester, hydrochloride?
The CAS number of Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride is 3213-44-3.
What is the molecular formula of Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride?
The molecular formula of Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride is C21H28ClNO2.
What is the molecular weight of Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride?
The molecular weight of Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride is 361.18 g/mol.
Where can I buy Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride?
You can request a quote for Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl 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-, 2-(diethylamino)-1-methylethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenyl-, 2-(diethylamino)-1-methylethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.