2-(3-Chlorophenyl)oxirane
TL;DR: 2-(3-Chlorophenyl)oxirane (CAS 115648-90-3) is a chemical compound with molecular formula C8H7ClO and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)oxirane
Also Known As: 2-(3-Chlorophenyl)oxirane, 2-(3-Chloro-phenyl)-oxirane, 3-Chlorostyrene oxide, (3-Chlorophenyl)oxirane, m-Chlorostyrene oxide
| Molecular Formula | C8H7ClO |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.01854 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 115648-90-3 |
|---|---|
| SMILES | C1C(O1)C2=CC(=CC=C2)Cl |
| InChIKey | YVMKRPGFBQGEBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Chlorophenyl)oxirane (CAS 115648-90-3), with molecular formula C8H7ClO and molecular weight 154.02 g/mol. IUPAC: 2-(3-chlorophenyl)oxirane.
Chemical Property Profile of 2-(3-Chlorophenyl)oxirane
Property Insights of 2-(3-Chlorophenyl)oxirane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chlorophenyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(3-Chlorophenyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorophenyl)oxirane 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 2-(3-Chlorophenyl)oxirane?
The CAS number of 2-(3-Chlorophenyl)oxirane is 115648-90-3.
What is the molecular formula of 2-(3-Chlorophenyl)oxirane?
The molecular formula of 2-(3-Chlorophenyl)oxirane is C8H7ClO.
What is the molecular weight of 2-(3-Chlorophenyl)oxirane?
The molecular weight of 2-(3-Chlorophenyl)oxirane is 154.02 g/mol.
Where can I buy 2-(3-Chlorophenyl)oxirane?
You can request a quote for 2-(3-Chlorophenyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorophenyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorophenyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.