1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate
TL;DR: 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate (CAS 108546-99-2) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1-benzylcyclopropane-1-carboxylate
Also Known As: t-butyl 1-benzylcyclopropanecarboxylate, tert-butyl 1-benzylcyclopropane-1-carboxylate, tert-Butyl 1-benzylcyclopropanecarboxylate, 1-Benzyl-cyclopropanecarboxylic acid tert-butyl ester, tert-Butyl 1-benzylcyclopropanecarboxylate #
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 108546-99-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1(CC1)CC2=CC=CC=C2 |
| InChIKey | UHSPQEYRELDWRG-UHFFFAOYSA-N |
Product Overview
1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate (CAS 108546-99-2), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: tert-butyl 1-benzylcyclopropane-1-carboxylate.
Chemical Property Profile of 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate
Property Insights of 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate
The XLogP value of 3.3 indicates that 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate 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 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate?
The CAS number of 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate is 108546-99-2.
What is the molecular formula of 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate?
The molecular formula of 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate is C15H20O2.
What is the molecular weight of 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate?
The molecular weight of 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate is 232.15 g/mol.
Where can I buy 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate?
You can request a quote for 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl 1-(phenylmethyl)cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.