(2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate
TL;DR: (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate (CAS 1005096-29-6) is a chemical compound with molecular formula C15H27NO2 and molecular weight 253.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dimethylcyclohexyl)methyl 2-pyrrolidin-1-ylacetate
Also Known As: (2,4-dimethylcyclohexyl)methyl 2-pyrrolidin-1-ylacetate, (2,4-dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate, (2,4-DIMETHYLCYCLOHEXYL)METHYL 2-(PYRROLIDIN-1-YL)ACETATE
| Molecular Formula | C15H27NO2 |
|---|---|
| Molecular Weight | 253.20 g/mol |
| LogP | 2.6977 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.20418 |
| Heavy Atoms | 18 |
| Complexity | 273.66718 |
Chemical Identifiers
| CAS Number | 1005096-29-6 |
|---|---|
| SMILES | CC1CCC(C(C1)C)COC(=O)CN2CCCC2 |
Product Overview
(2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate (CAS 1005096-29-6), with molecular formula C15H27NO2 and molecular weight 253.20 g/mol. IUPAC: (2,4-dimethylcyclohexyl)methyl 2-pyrrolidin-1-ylacetate.
Chemical Property Profile of (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate
Property Insights of (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate
The XLogP value of 2.6977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate. With a topological polar surface area (TPSA) of 29.54 Ų, (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate has 0 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 (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate?
The CAS number of (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate is 1005096-29-6.
What is the molecular formula of (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate?
The molecular formula of (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate is C15H27NO2.
What is the molecular weight of (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate?
The molecular weight of (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate is 253.20 g/mol.
Where can I buy (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate?
You can request a quote for (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dimethylcyclohexyl)methyl pyrrolidin-1-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.