2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride
TL;DR: 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride (CAS 69352-81-4) is a chemical compound with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
Also Known As: MP 38, 2,4,6-CYCLOHEPTATRIENE-1-ACETIC ACID, 2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE, 2-piperidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride, 2,4,6-Cycloheptatriene-1-acetic acid, 2-(1-piperidinyl)ethyl ester, hydrochloride
| Molecular Formula | C16H24ClNO2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | -1.71 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.14957 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 69352-81-4 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCOC(=O)CC2C=CC=CC=C2.[Cl-] |
| InChIKey | GNGIKMMPMRYRKN-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride (CAS 69352-81-4), with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride.
Chemical Property Profile of 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride
Property Insights of 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride
The XLogP value of -1.71 indicates that 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl 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, 2-piperidinoethyl 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, 2-piperidinoethyl 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, 2-piperidinoethyl ester, hydrochloride?
The CAS number of 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride is 69352-81-4.
What is the molecular formula of 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride?
The molecular formula of 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride is C16H24ClNO2.
What is the molecular weight of 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride?
The molecular weight of 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride is 297.15 g/mol.
Where can I buy 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride?
You can request a quote for 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl 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, 2-piperidinoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatriene-1-acetic acid, 2-piperidinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.