(1S,2S)-(-)-1-Phenylpropylene oxide
TL;DR: (1S,2S)-(-)-1-Phenylpropylene oxide (CAS 4518-66-5) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-methyl-3-phenyloxirane
Also Known As: trans-beta-Methylstyrene oxide, starbld0000980, trans-2-Methyl-3-phenyloxirane, 2-Methyl-3-phenyloxirane, trans-beta-Methylstyrene epoxide
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 4518-66-5 |
|---|---|
| SMILES | C[C@H]1[C@@H](O1)C2=CC=CC=C2 |
| InChIKey | YVCOJTATJWDGEU-IONNQARKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1S,2S)-(-)-1-Phenylpropylene oxide (CAS 4518-66-5), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: (2S,3S)-2-methyl-3-phenyloxirane.
Chemical Property Profile of (1S,2S)-(-)-1-Phenylpropylene oxide
Property Insights of (1S,2S)-(-)-1-Phenylpropylene oxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S)-(-)-1-Phenylpropylene oxide. With a topological polar surface area (TPSA) of 12.5 Ų, (1S,2S)-(-)-1-Phenylpropylene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2S)-(-)-1-Phenylpropylene oxide has 0 hydrogen bond donor(s) and 1 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 (1S,2S)-(-)-1-Phenylpropylene oxide?
The CAS number of (1S,2S)-(-)-1-Phenylpropylene oxide is 4518-66-5.
What is the molecular formula of (1S,2S)-(-)-1-Phenylpropylene oxide?
The molecular formula of (1S,2S)-(-)-1-Phenylpropylene oxide is C9H10O.
What is the molecular weight of (1S,2S)-(-)-1-Phenylpropylene oxide?
The molecular weight of (1S,2S)-(-)-1-Phenylpropylene oxide is 134.07 g/mol.
Where can I buy (1S,2S)-(-)-1-Phenylpropylene oxide?
You can request a quote for (1S,2S)-(-)-1-Phenylpropylene oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2S)-(-)-1-Phenylpropylene oxide?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S)-(-)-1-Phenylpropylene oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.