2-(Chloromethyl)-2-phenyloxirane
TL;DR: 2-(Chloromethyl)-2-phenyloxirane (CAS 1005-91-0) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-2-phenyloxirane
Also Known As: 2-(Chloromethyl)-2-phenyloxirane, 2-phenyl epichlorohydrin, 2-phenyl-2-(chloromethyl)oxirane, 3-Bromo-1,2-epoxy-2-phenylpropane, 2-chloromethyl-2-phenyloxirane
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 1005-91-0 |
|---|---|
| SMILES | C1C(O1)(CCl)C2=CC=CC=C2 |
| InChIKey | TUEPHPOTRAJQEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)-2-phenyloxirane (CAS 1005-91-0), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 2-(chloromethyl)-2-phenyloxirane.
Chemical Property Profile of 2-(Chloromethyl)-2-phenyloxirane
Property Insights of 2-(Chloromethyl)-2-phenyloxirane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-2-phenyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(Chloromethyl)-2-phenyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-2-phenyloxirane 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-(Chloromethyl)-2-phenyloxirane?
The CAS number of 2-(Chloromethyl)-2-phenyloxirane is 1005-91-0.
What is the molecular formula of 2-(Chloromethyl)-2-phenyloxirane?
The molecular formula of 2-(Chloromethyl)-2-phenyloxirane is C9H9ClO.
What is the molecular weight of 2-(Chloromethyl)-2-phenyloxirane?
The molecular weight of 2-(Chloromethyl)-2-phenyloxirane is 168.03 g/mol.
Where can I buy 2-(Chloromethyl)-2-phenyloxirane?
You can request a quote for 2-(Chloromethyl)-2-phenyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-2-phenyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-2-phenyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.