2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-
TL;DR: 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- (CAS 28657-02-5) 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.
cis-2-(diethylamino)ethyl (1R,3S)-3-methylcyclohexane-1-carboxylate;hydrochloride
Also Known As: cis-(2-Diethylaminoethyl) 3-methylcyclohexanecarboxylate hydrochloride, Cyclohexanecarboxylic acid, 3-methyl-, (2-diethylaminoethyl)ester, hydrochloride, (Z)-, 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-, Cyclohexanecarboxylic acid, 3-methyl-, 2-(diethylamino)ethyl ester hydrochloride, cis-, 2-(diethylamino)ethyl (1R,3S)-3-methylcyclohexane-1-carboxyl
| 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 | 226.0 |
Chemical Identifiers
| CAS Number | 28657-02-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)[C@@H]1CCC[C@@H](C1)C.Cl |
| InChIKey | RRSHQHYVWGNCJE-JHEYCYPBSA-N |
Product Overview
2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- (CAS 28657-02-5), with molecular formula C14H28ClNO2 and molecular weight 277.18 g/mol. IUPAC: cis-2-(diethylamino)ethyl (1R,3S)-3-methylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-
Property Insights of 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-
The XLogP value of 3.1195 indicates that 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- 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-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-?
The CAS number of 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- is 28657-02-5.
What is the molecular formula of 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-?
The molecular formula of 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- is C14H28ClNO2.
What is the molecular weight of 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-?
The molecular weight of 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- is 277.18 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-?
You can request a quote for 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)-?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 3-methylcyclohexane-1-carboxylate, (1R,3S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.