2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride
TL;DR: 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride (CAS 16700-15-5) is a chemical compound with molecular formula C12H22ClNO3 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-(4-hydroxycyclohexylidene)acetate;hydrochloride
Also Known As: 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride, delta(sup 1,alpha)-Cyclohexaneacetic acid, 4-hydroxy-, 2-(dimethylamino)ethyl ester, hydrochloride, 2-dimethylaminoethyl 2-(4-hydroxycyclohexylidene)acetate hydrochloride
| Molecular Formula | C12H22ClNO3 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 1.3743 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.1288 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 16700-15-5 |
|---|---|
| SMILES | CN(C)CCOC(=O)C=C1CCC(CC1)O.Cl |
| InChIKey | PHWZVVZNAKAXCK-UHFFFAOYSA-N |
Product Overview
2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride (CAS 16700-15-5), with molecular formula C12H22ClNO3 and molecular weight 263.13 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(4-hydroxycyclohexylidene)acetate;hydrochloride.
Chemical Property Profile of 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride
Property Insights of 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride
The XLogP value of 1.3743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride has 2 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-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride?
The CAS number of 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride is 16700-15-5.
What is the molecular formula of 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride?
The molecular formula of 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride is C12H22ClNO3.
What is the molecular weight of 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride?
The molecular weight of 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride is 263.13 g/mol.
Where can I buy 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride?
You can request a quote for 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.