Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride
TL;DR: Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride (CAS 67031-98-5) 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-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride
Also Known As: BENZOIC ACID, 3-(4-PENTYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride, 1-Piperidinepropanol, 4-pentyl-, benzoate (ester), hydrochloride, RefChem:1079061
| Molecular Formula | C20H32ClNO2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 0.11 |
| 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 | 318.0 |
Chemical Identifiers
| CAS Number | 67031-98-5 |
|---|---|
| SMILES | CCCCCC1CC[NH+](CC1)CCCOC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | LTENMPKXDARNHW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride (CAS 67031-98-5), with molecular formula C20H32ClNO2 and molecular weight 353.21 g/mol. IUPAC: 3-(4-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride.
Chemical Property Profile of Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride
Property Insights of Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride 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 Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride is 67031-98-5.
What is the molecular formula of Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride is C20H32ClNO2.
What is the molecular weight of Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride is 353.21 g/mol.
Where can I buy Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(4-pentylpiperidino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.