Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride
TL;DR: Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride (CAS 77985-28-5) is a chemical compound with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamate chloride
Also Known As: C 5311, N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride, CARBAMIC ACID, N-(2-PIPERIDINOETHYL)-, MESITYL ESTER, HYDROCHLORIDE, (2,4,6-trimethylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamate chloride, (2,4,6-trimethylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamatechloride
| Molecular Formula | C17H27ClN2O2 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | -1.23 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.17612 |
| Heavy Atoms | 22 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 77985-28-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OC(=O)NCC[NH+]2CCCCC2)C.[Cl-] |
| InChIKey | AYKLEDWGNCRCFV-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride (CAS 77985-28-5), with molecular formula C17H27ClN2O2 and molecular weight 326.18 g/mol. IUPAC: (2,4,6-trimethylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamate chloride.
Chemical Property Profile of Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride
Property Insights of Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride
The XLogP value of -1.23 indicates that Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride has 2 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 Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride?
The CAS number of Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride is 77985-28-5.
What is the molecular formula of Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride?
The molecular formula of Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride is C17H27ClN2O2.
What is the molecular weight of Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride?
The molecular weight of Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride is 326.18 g/mol.
Where can I buy Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride?
You can request a quote for Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-(2-piperidinoethyl)-, mesityl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.