Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate
TL;DR: Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate (CAS 69217-50-1) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate
Also Known As: tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate, 3-Methyl-3-phenyl-2-oxiranecarboxylic acid tert-butyl ester
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 69217-50-1 |
|---|---|
| SMILES | CC1(C(O1)C(=O)OC(C)(C)C)C2=CC=CC=C2 |
| InChIKey | CTGZYSALYIKEQC-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate (CAS 69217-50-1), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate.
Chemical Property Profile of Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate
Property Insights of Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate 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 Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate?
The CAS number of Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate is 69217-50-1.
What is the molecular formula of Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate?
The molecular formula of Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate is C14H18O3.
What is the molecular weight of Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate?
The molecular weight of Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate is 234.13 g/mol.
Where can I buy Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate?
You can request a quote for Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-methyl-3-phenyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.