trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride
TL;DR: trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride (CAS 28657-03-6) is a chemical compound with molecular formula C14H28ClNO2 and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-methylcyclohexane-1-carboxylate;hydrochloride
Also Known As: trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride, cis-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride, 2-diethylaminoethyl 4-methylcyclohexane-1-carboxylate hydroc, Cyclohexanecarboxylic acid, 4-methyl-, (2-diethylaminoethyl) ester, hydrochloride, (E)-, Cyclohexanecarboxylic acid, 4-methyl-, (2-diethylaminoethyl) ester, hydrochloride, (Z)-
| Molecular Formula | C14H28ClNO2 |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 3.1195 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.18085 |
| Heavy Atoms | 18 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 28657-03-6 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1CCC(CC1)C.Cl |
| InChIKey | RLRVXATWFDDCDU-UHFFFAOYSA-N |
Product Overview
trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride (CAS 28657-03-6), with molecular formula C14H28ClNO2 and molecular weight 277.18 g/mol. IUPAC: 2-(diethylamino)ethyl 4-methylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride
Property Insights of trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride
The XLogP value of 3.1195 indicates that trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate 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 trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride?
The CAS number of trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride is 28657-03-6.
What is the molecular formula of trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride?
The molecular formula of trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride is C14H28ClNO2.
What is the molecular weight of trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride?
The molecular weight of trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride is 277.18 g/mol.
Where can I buy trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride?
You can request a quote for trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for trans-(2-Diethylaminoethyl) 4-methylcyclohexanecarboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.