1-Methylpiperidin-3-yl 2-bromobenzoate
TL;DR: 1-Methylpiperidin-3-yl 2-bromobenzoate (CAS 431941-33-2) is a chemical compound with molecular formula C13H16BrNO2 and molecular weight 297.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-3-yl) 2-bromobenzoate
Also Known As: 1-methylpiperidin-3-yl 2-bromobenzoate, (1-methyl-3-piperidyl) 2-bromobenzoate, (1-methylpiperidin-3-yl) 2-bromobenzoate
| Molecular Formula | C13H16BrNO2 |
|---|---|
| Molecular Weight | 297.04 g/mol |
| LogP | 2.7001 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.03644 |
| Heavy Atoms | 17 |
| Complexity | 408.16086 |
Chemical Identifiers
| CAS Number | 431941-33-2 |
|---|---|
| SMILES | CN1CCCC(C1)OC(=O)C2=CC=CC=C2Br |
Product Overview
1-Methylpiperidin-3-yl 2-bromobenzoate (CAS 431941-33-2), with molecular formula C13H16BrNO2 and molecular weight 297.04 g/mol. IUPAC: (1-methylpiperidin-3-yl) 2-bromobenzoate.
Chemical Property Profile of 1-Methylpiperidin-3-yl 2-bromobenzoate
Property Insights of 1-Methylpiperidin-3-yl 2-bromobenzoate
The XLogP value of 2.7001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpiperidin-3-yl 2-bromobenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Methylpiperidin-3-yl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpiperidin-3-yl 2-bromobenzoate 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 1-Methylpiperidin-3-yl 2-bromobenzoate?
The CAS number of 1-Methylpiperidin-3-yl 2-bromobenzoate is 431941-33-2.
What is the molecular formula of 1-Methylpiperidin-3-yl 2-bromobenzoate?
The molecular formula of 1-Methylpiperidin-3-yl 2-bromobenzoate is C13H16BrNO2.
What is the molecular weight of 1-Methylpiperidin-3-yl 2-bromobenzoate?
The molecular weight of 1-Methylpiperidin-3-yl 2-bromobenzoate is 297.04 g/mol.
Where can I buy 1-Methylpiperidin-3-yl 2-bromobenzoate?
You can request a quote for 1-Methylpiperidin-3-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 1-Methylpiperidin-3-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpiperidin-3-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.