N-(2-Bromoethyl)-4-piperidinyl diphenylacetate
TL;DR: N-(2-Bromoethyl)-4-piperidinyl diphenylacetate (CAS 150405-96-2) is a chemical compound with molecular formula C21H24BrNO2 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-bromoethyl)piperidin-4-yl] 2,2-diphenylacetate
Also Known As: 4-Damp bromo mustard, N-(2-Bromoethyl)-4-piperidinyl diphenylacetate, [1-(2-bromoethyl)piperidin-4-yl] 2,2-diphenylacetate, 1-(2-Bromoethyl)piperidin-4-yl diphenylacetate, 4-(Diphenylacetoxy)-1-(2-bromoethyl)piperidine
| Molecular Formula | C21H24BrNO2 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.09903 |
| Heavy Atoms | 25 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 150405-96-2 |
|---|---|
| SMILES | C1CN(CCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCBr |
| InChIKey | NWGPSDUQIXGOMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Bromoethyl)-4-piperidinyl diphenylacetate (CAS 150405-96-2), with molecular formula C21H24BrNO2 and molecular weight 401.10 g/mol. IUPAC: [1-(2-bromoethyl)piperidin-4-yl] 2,2-diphenylacetate.
Chemical Property Profile of N-(2-Bromoethyl)-4-piperidinyl diphenylacetate
Property Insights of N-(2-Bromoethyl)-4-piperidinyl diphenylacetate
The XLogP value of 4.8 indicates that N-(2-Bromoethyl)-4-piperidinyl diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, N-(2-Bromoethyl)-4-piperidinyl diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Bromoethyl)-4-piperidinyl diphenylacetate has 0 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 N-(2-Bromoethyl)-4-piperidinyl diphenylacetate?
The CAS number of N-(2-Bromoethyl)-4-piperidinyl diphenylacetate is 150405-96-2.
What is the molecular formula of N-(2-Bromoethyl)-4-piperidinyl diphenylacetate?
The molecular formula of N-(2-Bromoethyl)-4-piperidinyl diphenylacetate is C21H24BrNO2.
What is the molecular weight of N-(2-Bromoethyl)-4-piperidinyl diphenylacetate?
The molecular weight of N-(2-Bromoethyl)-4-piperidinyl diphenylacetate is 401.10 g/mol.
Where can I buy N-(2-Bromoethyl)-4-piperidinyl diphenylacetate?
You can request a quote for N-(2-Bromoethyl)-4-piperidinyl diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromoethyl)-4-piperidinyl diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromoethyl)-4-piperidinyl diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.