RefChem:335334
TL;DR: RefChem:335334 (CAS 28657-10-5) 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.
trans-2-(diethylamino)ethyl (1R,2R)-2-methylcyclohexane-1-carboxylate;hydrochloride
Also Known As: trans-(2-Diethylaminoethyl) 2-methylcyclohexanecarboxylate hydrochloride, Cyclohexanecarboxylic acid, 2-methyl-, (2-diethylaminoethyl)ester, hydrochloride, (E)-, Cyclohexanecarboxylic acid, 2-methyl-, 2-(diethylamino)ethyl ester hydrochloride, trans-, 2-(diethylamino)ethyl (1R,2R)-2-methylcyclohexane-1-carboxyl, 2-diethylaminoethyl (1R,2R)-2-methylcyclohexane-1-carboxylate hydrochloride
| 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 | 28657-10-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)[C@@H]1CCCC[C@H]1C.Cl |
| InChIKey | YTHQITGMXKCSNV-OJERSXHUSA-N |
Product Overview
RefChem:335334 (CAS 28657-10-5), with molecular formula C14H28ClNO2 and molecular weight 277.18 g/mol. IUPAC: trans-2-(diethylamino)ethyl (1R,2R)-2-methylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:335334
Property Insights of RefChem:335334
The XLogP value of 3.1195 indicates that RefChem:335334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:335334 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335334 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 RefChem:335334?
The CAS number of RefChem:335334 is 28657-10-5.
What is the molecular formula of RefChem:335334?
The molecular formula of RefChem:335334 is C14H28ClNO2.
What is the molecular weight of RefChem:335334?
The molecular weight of RefChem:335334 is 277.18 g/mol.
Where can I buy RefChem:335334?
You can request a quote for RefChem:335334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335334?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.