2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
TL;DR: 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate (CAS 36167-80-3) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloroethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Also Known As: PROPYLBENZILYLCHOLINE MUSTARD, PRBCM, PrBCh, Mustard, Propylbenzilylcholine, CAS_36167-80-3
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 36167-80-3 |
|---|---|
| SMILES | CCCN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)CCCl |
| InChIKey | ADUIJCCNUGTGDH-UHFFFAOYSA-N |
Product Overview
2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate (CAS 36167-80-3), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: 2-[2-chloroethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
Property Insights of 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
The XLogP value of 4.2 indicates that 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate 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-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
The CAS number of 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate is 36167-80-3.
What is the molecular formula of 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
The molecular formula of 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate is C21H26ClNO3.
What is the molecular weight of 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
The molecular weight of 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate is 375.16 g/mol.
Where can I buy 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
You can request a quote for 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chloroethyl)propylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.