Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester
TL;DR: Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester (CAS 63918-96-7) is a chemical compound with molecular formula C22H35NO3 and molecular weight 361.2617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpiperidin-1-yl)propyl 4-hexan-2-yloxybenzoate
Also Known As: 3-(2'-Methylpiperidino)propyl p-sec-hexoxybenzoate, 3-(2-methylpiperidin-1-yl)propyl 4-hexan-2-yloxybenzoate, BENZOIC ACID, p-sec-HEXOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER, 1-(1-hydroxy-cyclohexyloxy)-cyclohexanecarbonitrile, 3-(2-Methylpiperidino)propyl=p-(1-methylpentyl)oxybenzoate
Technical Specifications
| Molecular Formula | C22H35NO3 |
| Molecular Weight | 361.2617 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 361.2617 Da |
| Heavy Atoms | 26 |
| Complexity | 393.0 |
| SMILES | CCCCC(C)OC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C |
| InChIKey | IHTNSEAIRWVJJI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester
Property Insights of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester
The XLogP value of 5.6 indicates that Benzoic acid, p-sec-hexoxy-, 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 38.8 Ų, Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester?
The CAS number of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester is 63918-96-7.
What is the molecular formula of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester?
The molecular formula of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester is C22H35NO3.
What is the molecular weight of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester?
The molecular weight of Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester is 361.2617 g/mol.
Where can I buy Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester?
You can request a quote for Benzoic acid, p-sec-hexoxy-, 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-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-sec-hexoxy-, 3-(2'-methylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.