草莓醛
TL;DR: 草莓醛 (CAS 77-83-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草莓醛
ethyl 3-methyl-3-phenyloxirane-2-carboxylate
Also Known As: Strawberry aldehyde, Fraeseol, ETHYL METHYLPHENYLGLYCIDATE, Ethyl 3-methyl-3-phenylglycidate, Aldehyde C-16
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
| Boiling Point | 522 to 275.0 °C at 760 mmHg |
| Density | 1.104 to 1.123 at 20.0 °C |
| Solubility | Insoluble (<1 mg/ml at 68 °F) (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Refractive Index | 1.5182 @ 20 °C |
Chemical Identifiers
| CAS Number | 77-83-8 |
|---|---|
| SMILES | CCOC(=O)C1C(O1)(C)C2=CC=CC=C2 |
| InChIKey | LQKRYVGRPXFFAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草莓醛 (CAS 77-83-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 3-methyl-3-phenyloxirane-2-carboxylate.
Chemical Property Profile of 草莓醛
Property Insights of 草莓醛
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 草莓醛. With a topological polar surface area (TPSA) of 38.8 Ų, 草莓醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 草莓醛 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 草莓醛?
The CAS number of 草莓醛 is 77-83-8.
What is the molecular formula of 草莓醛?
The molecular formula of 草莓醛 is C12H14O3.
What is the molecular weight of 草莓醛?
The molecular weight of 草莓醛 is 206.09 g/mol.
Where can I buy 草莓醛?
You can request a quote for 草莓醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草莓醛?
Yes, KEHONG BIO provides custom synthesis services for 草莓醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.