2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
TL;DR: 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride (CAS 2765-97-1) is a chemical compound with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium chloride
Also Known As: Sertal, 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride, 2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium;chloride, beta-Dimethylaminoethyl-alpha,alpha-diphenyl-alpha-propargoxyacetate, alpha,alpha-Diphenyl-alpha-propargoxyacetic acid (beta-dimethylaminoethyl)ester hydrochloride
| Molecular Formula | C21H24ClNO3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | -1.73 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.14447 |
| Heavy Atoms | 26 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 2765-97-1 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C.[Cl-] |
| InChIKey | RSBGQTFIHFGTSY-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride (CAS 2765-97-1), with molecular formula C21H24ClNO3 and molecular weight 373.14 g/mol. IUPAC: 2-(2,2-diphenyl-2-prop-2-ynoxyacetyl)oxyethyl-dimethylazanium chloride.
Chemical Property Profile of 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
Property Insights of 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
The XLogP value of -1.73 indicates that 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride 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 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride?
The CAS number of 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride is 2765-97-1.
What is the molecular formula of 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride?
The molecular formula of 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride is C21H24ClNO3.
What is the molecular weight of 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride?
The molecular weight of 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride is 373.14 g/mol.
Where can I buy 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride?
You can request a quote for 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.