Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester
TL;DR: Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester (CAS 63916-64-3) is a chemical compound with molecular formula C16H22BrNO2 and molecular weight 339.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpiperidin-1-yl)propyl 4-bromobenzoate
Also Known As: 3-(2'-Methylpiperidino)propyl p-bromobenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-bromobenzoate, 3-(2-Methylpiperidino)propyl=p-bromobenzoate, BENZOIC ACID, p-BROMO-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER, Benzoic acid, 4-bromo-, 3-(2-methyl-1-piperidinyl)propyl ester
Technical Specifications
| Molecular Formula | C16H22BrNO2 |
| Molecular Weight | 339.0834 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.0834 Da |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)Br |
| InChIKey | XTBYBRINUMAOSK-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester
Property Insights of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester
The XLogP value of 4.1 indicates that Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester 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
What is the CAS number of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester?
The CAS number of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester is 63916-64-3.
What is the molecular formula of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester?
The molecular formula of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester is C16H22BrNO2.
What is the molecular weight of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester?
The molecular weight of Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester is 339.0834 g/mol.
Where can I buy Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester?
You can request a quote for Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-bromo-, 3-(2'-methylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.