2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate
TL;DR: 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate (CAS 4953-26-8) is a chemical compound with molecular formula C21H29NO2 and molecular weight 327.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylpyrrolidin-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate
Also Known As: 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate, 2-(3-methylpyrrolidin-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate
| Molecular Formula | C21H29NO2 |
|---|---|
| Molecular Weight | 327.22 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.21982 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 4953-26-8 |
|---|---|
| SMILES | CC1CCN(C1)CCOC(=O)C(C2CCCC=C2)C3=CC=CC=C3 |
| InChIKey | XILWIKWHCRBAJH-UHFFFAOYSA-N |
Product Overview
2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate (CAS 4953-26-8), with molecular formula C21H29NO2 and molecular weight 327.22 g/mol. IUPAC: 2-(3-methylpyrrolidin-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate.
Chemical Property Profile of 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate
Property Insights of 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate
The XLogP value of 4.7 indicates that 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate 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-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate?
The CAS number of 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate is 4953-26-8.
What is the molecular formula of 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate?
The molecular formula of 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate is C21H29NO2.
What is the molecular weight of 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate?
The molecular weight of 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate is 327.22 g/mol.
Where can I buy 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate?
You can request a quote for 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.