2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate
TL;DR: 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate (CAS 14031-30-2) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-[4-(4-oxocyclohexyl)cyclohexylidene]acetate
Also Known As: 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate, (Bicyclohexyl)-delta(sup 4,alpha)-acetic acid, 4'-oxo-, 2-(dimethylamino)ethyl ester, 2-dimethylaminoethyl 2-[4-(4-oxocyclohexyl)cyclohexylidene]acetate, BRN 2658936
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 14031-30-2 |
|---|---|
| SMILES | CN(C)CCOC(=O)C=C1CCC(CC1)C2CCC(=O)CC2 |
| InChIKey | KUHAWNWMQMPISO-UHFFFAOYSA-N |
Product Overview
2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate (CAS 14031-30-2), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-[4-(4-oxocyclohexyl)cyclohexylidene]acetate.
Chemical Property Profile of 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate
Property Insights of 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate has 0 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-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate?
The CAS number of 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate is 14031-30-2.
What is the molecular formula of 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate?
The molecular formula of 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate is C18H29NO3.
What is the molecular weight of 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate?
The molecular weight of 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate is 307.21 g/mol.
Where can I buy 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate?
You can request a quote for 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate 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-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.