4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate
TL;DR: 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate (CAS 71266-44-9) is a chemical compound with molecular formula C20H20BrNO3 and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyl-2-methylpiperidin-4-yl) 2-bromobenzoate
Also Known As: 4-benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate, Benzoic acid, 2-bromo-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid, (4-benzoyl-2-methylpiperidin-4-yl) 2-bromobenzoate, 2-Bromobenzoic acid 4-benzoyl-1-methyl-4-piperidinyl ester conjugate monoacid, RefChem:1070356
| Molecular Formula | C20H20BrNO3 |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.06265 |
| Heavy Atoms | 25 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 71266-44-9 |
|---|---|
| SMILES | CC1CC(CCN1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Br |
| InChIKey | MFDWVMPDLWOZFC-UHFFFAOYSA-N |
Product Overview
4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate (CAS 71266-44-9), with molecular formula C20H20BrNO3 and molecular weight 401.06 g/mol. IUPAC: (4-benzoyl-2-methylpiperidin-4-yl) 2-bromobenzoate.
Chemical Property Profile of 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate
Property Insights of 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate
The XLogP value of 4.2 indicates that 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate 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 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate?
The CAS number of 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate is 71266-44-9.
What is the molecular formula of 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate?
The molecular formula of 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate is C20H20BrNO3.
What is the molecular weight of 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate?
The molecular weight of 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate is 401.06 g/mol.
Where can I buy 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate?
You can request a quote for 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.