4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate
TL;DR: 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate (CAS 101030-76-6) is a chemical compound with molecular formula C27H35NO3 and molecular weight 421.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethyl-2,2-dimethyl-3-piperidin-1-ylcyclobutyl) 2-hydroxy-2,2-diphenylacetate
Also Known As: Benzilic acid, 2,2-dimethyl-4-ethyl-3-piperidinocyclobutyl ester, NCI60_022715, 2-Ethyl-4,4-dimethyl-3-(1-piperidine)cyclobutyl benzilate, (4-ethyl-2,2-dimethyl-3-piperidin-1-ylcyclobutyl) 2-hydroxy-2,2-diphenylacetate, CYCLOBUTANOL, 2,2-DIMETHYL-4-ETHYL-3-PIPERIDINO-, BENZILATE (ester)
| Molecular Formula | C27H35NO3 |
|---|---|
| Molecular Weight | 421.26 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.2617 |
| Heavy Atoms | 31 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 101030-76-6 |
|---|---|
| SMILES | CCC1C(C(C1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C)C)N4CCCCC4 |
| InChIKey | ORGGZMATFTXBQJ-UHFFFAOYSA-N |
Product Overview
4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate (CAS 101030-76-6), with molecular formula C27H35NO3 and molecular weight 421.26 g/mol. IUPAC: (4-ethyl-2,2-dimethyl-3-piperidin-1-ylcyclobutyl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate
Property Insights of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate
The XLogP value of 5.8 indicates that 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate?
The CAS number of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate is 101030-76-6.
What is the molecular formula of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate?
The molecular formula of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate is C27H35NO3.
What is the molecular weight of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate?
The molecular weight of 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate is 421.26 g/mol.
Where can I buy 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate?
You can request a quote for 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2,2-dimethyl-3-(piperidin-1-yl)cyclobutyl hydroxy(diphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.