BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER
TL;DR: BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER (CAS 67031-81-6) is a chemical compound with molecular formula C17H25NO2S and molecular weight 307.1606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-piperidin-1-ylethyl 2-propylsulfanylbenzoate
Also Known As: beta-Piperidinoethyl o-propylthiobenzoate, o-(Propylthio)benzoic acid 2-piperidinoethyl ester, 2-Piperidinoethyl=o-(propylthio)benzoate, BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER, 4-20-00-00426 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C17H25NO2S |
| Molecular Weight | 307.1606 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 307.1606 Da |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
| SMILES | CCCSC1=CC=CC=C1C(=O)OCCN2CCCCC2 |
| InChIKey | LJNJUZILCGGEAC-UHFFFAOYSA-N |
Chemical Property Profile of BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER
Property Insights of BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER
The XLogP value of 4.1 indicates that BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER has 0 hydrogen bond donor(s) and 4 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, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER?
The CAS number of BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER is 67031-81-6.
What is the molecular formula of BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER?
The molecular formula of BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER is C17H25NO2S.
What is the molecular weight of BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER?
The molecular weight of BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER is 307.1606 g/mol.
Where can I buy BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER?
You can request a quote for BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER?
Yes, CoreyChem provides custom synthesis services for BENZOIC ACID, o-(PROPYLTHIO)-, 2-PIPERIDINOETHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.