3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
TL;DR: 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67031-97-4) is a chemical compound with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride
Also Known As: BENZOIC ACID, 3-(2-PENTYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride, 1-Piperidinepropanol, 2-pentyl-, benzoate (ester), hydrochloride, 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1), RefChem:1066616
| Molecular Formula | C20H32ClNO2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 0.26 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 353.21216 |
| Heavy Atoms | 24 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 67031-97-4 |
|---|---|
| SMILES | CCCCCC1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | GFJMMUJLCRWBNW-UHFFFAOYSA-N |
Product Overview
3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 67031-97-4), with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol. IUPAC: 3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride.
Chemical Property Profile of 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
Property Insights of 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) has 1 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 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 67031-97-4.
What is the molecular formula of 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is C20H32ClNO2.
What is the molecular weight of 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 353.21 g/mol.
Where can I buy 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.