ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
TL;DR: ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate (CAS 115199-51-4) is a chemical compound with molecular formula C16H22O2 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
Also Known As: ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate, (1R,2R)-2-(4-tert-Butylphenyl)cyclopropane-1-carboxylic acid ethyl ester, rel-Ethyl (1R,2R)-2-[4-(1,1-dimethylethyl)phenyl]cyclopropanecarboxylate, (1R)-2alpha-(4-tert-Butylphenyl)cyclopropane-1beta-carboxylic acid ethyl ester
| Molecular Formula | C16H22O2 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 3.6507 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.16199 |
| Heavy Atoms | 18 |
| Complexity | 425.40533 |
Chemical Identifiers
| CAS Number | 115199-51-4 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)C(C)(C)C |
Product Overview
ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate (CAS 115199-51-4), with molecular formula C16H22O2 and molecular weight 246.16 g/mol. IUPAC: trans-ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate.
Chemical Property Profile of ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
Property Insights of ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate
The XLogP value of 3.6507 indicates that ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
The CAS number of ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate is 115199-51-4.
What is the molecular formula of ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
The molecular formula of ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate is C16H22O2.
What is the molecular weight of ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
The molecular weight of ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate is 246.16 g/mol.
Where can I buy ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
You can request a quote for ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1R,2R)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.