Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate
TL;DR: Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate (CAS 7497-64-5) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-methyl-3-phenyloxirane-2-carboxylate
Also Known As: prop-2-enyl 3-methyl-3-phenyloxirane-2-carboxylate, PROP-2-ENYL 3-METHYL-3-PHENYL-OXIRANE-2-CARBOXYLATE, Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 7497-64-5 |
|---|---|
| SMILES | CC1(C(O1)C(=O)OCC=C)C2=CC=CC=C2 |
| InChIKey | FFGLIEXVHRHDKI-UHFFFAOYSA-N |
Product Overview
Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate (CAS 7497-64-5), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: prop-2-enyl 3-methyl-3-phenyloxirane-2-carboxylate.
Chemical Property Profile of Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate
Property Insights of Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-en-1-yl 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 Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate?
The CAS number of Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate is 7497-64-5.
What is the molecular formula of Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate?
The molecular formula of Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate is C13H14O3.
What is the molecular weight of Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate?
The molecular weight of Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate is 218.09 g/mol.
Where can I buy Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate?
You can request a quote for Prop-2-en-1-yl 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 Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-en-1-yl 3-methyl-3-phenyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.