2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride
TL;DR: 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride (CAS 62791-49-5) is a chemical compound with molecular formula C12H24ClNO3 and molecular weight 265.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate;hydrochloride
Also Known As: 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride, Cycloheptanecarboxylic acid, 1-hydroxy-, 2-(dimethylamino)ethyl ester, hydrochloride, Chlorhydrate de l'hydroxy-1 cycloheptanecarboxylate de dimethylaminoethanol [French], Chlorhydrate de l'hydroxy-1 cycloheptanecarboxylate de dimethylaminoethanol, 2-dimethylaminoethyl 1-hydroxycycloheptane-1-carboxylate hydrochloride
| Molecular Formula | C12H24ClNO3 |
|---|---|
| Molecular Weight | 265.14 g/mol |
| LogP | 1.5983 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.14447 |
| Heavy Atoms | 17 |
| Complexity | 225.79063 |
Chemical Identifiers
| CAS Number | 62791-49-5 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1(CCCCCC1)O.Cl |
Product Overview
2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride (CAS 62791-49-5), with molecular formula C12H24ClNO3 and molecular weight 265.14 g/mol. IUPAC: 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate;hydrochloride.
Chemical Property Profile of 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride
Property Insights of 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride
The XLogP value of 1.5983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride. With a topological polar surface area (TPSA) of 49.77 Ų, 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride has 1 hydrogen bond donor(s) and 4 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-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride?
The CAS number of 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride is 62791-49-5.
What is the molecular formula of 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride?
The molecular formula of 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride is C12H24ClNO3.
What is the molecular weight of 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride?
The molecular weight of 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride is 265.14 g/mol.
Where can I buy 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride?
You can request a quote for 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl 1-hydroxycycloheptanecarboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.