2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride
TL;DR: 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride (CAS 69352-82-5) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-ium-1-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
Also Known As: MP 46, 2,4,6-CYCLOHEPTATRIENE-1-ACETIC ACID, 3-(PIPERIDINOPROPYL) ESTER, HYDROCHLORIDE, 2,4,6-Cycloheptatriene-1-acetic acid, 3-(1-piperidinyl)propyl ester, hydrochloride, 3-piperidin-1-ium-1-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | -1.32 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 69352-82-5 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCCOC(=O)CC2C=CC=CC=C2.[Cl-] |
| InChIKey | WUFKIXJGPQVHSX-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride (CAS 69352-82-5), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: 3-piperidin-1-ium-1-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride.
Chemical Property Profile of 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride
Property Insights of 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride
The XLogP value of -1.32 indicates that 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) 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 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride?
The CAS number of 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride is 69352-82-5.
What is the molecular formula of 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride?
The molecular formula of 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride is C17H26ClNO2.
What is the molecular weight of 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride?
The molecular weight of 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride is 311.17 g/mol.
Where can I buy 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride?
You can request a quote for 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatriene-1-acetic acid, 3-(piperidinopropyl) ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.