3-苯基环氧丙酸 2-丙烯酯
TL;DR: 3-苯基环氧丙酸 2-丙烯酯 (CAS 15817-15-9) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基环氧丙酸 2-丙烯酯
prop-2-enyl 3-phenyloxirane-2-carboxylate
Also Known As: Allyl 3-phenyloxirane-2-carboxylate, prop-2-enyl 3-phenyloxirane-2-carboxylate, Allyl 3-phenyl-2-oxiranecarboxylate, prop-2-en-1-yl 3-phenyloxirane-2-carboxylate, Oxiranecarboxylic acid, 3-phenyl-, 2-propenyl ester
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 15817-15-9 |
|---|---|
| SMILES | C=CCOC(=O)C1C(O1)C2=CC=CC=C2 |
| InChIKey | GOGSOMHYWHWPJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基环氧丙酸 2-丙烯酯 (CAS 15817-15-9), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: prop-2-enyl 3-phenyloxirane-2-carboxylate.
Chemical Property Profile of 3-苯基环氧丙酸 2-丙烯酯
Property Insights of 3-苯基环氧丙酸 2-丙烯酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基环氧丙酸 2-丙烯酯. With a topological polar surface area (TPSA) of 38.8 Ų, 3-苯基环氧丙酸 2-丙烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基环氧丙酸 2-丙烯酯 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 3-苯基环氧丙酸 2-丙烯酯?
The CAS number of 3-苯基环氧丙酸 2-丙烯酯 is 15817-15-9.
What is the molecular formula of 3-苯基环氧丙酸 2-丙烯酯?
The molecular formula of 3-苯基环氧丙酸 2-丙烯酯 is C12H12O3.
What is the molecular weight of 3-苯基环氧丙酸 2-丙烯酯?
The molecular weight of 3-苯基环氧丙酸 2-丙烯酯 is 204.08 g/mol.
Where can I buy 3-苯基环氧丙酸 2-丙烯酯?
You can request a quote for 3-苯基环氧丙酸 2-丙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基环氧丙酸 2-丙烯酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基环氧丙酸 2-丙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.