3-(Chloromethyl)-2,2-dimethyloxirane
TL;DR: 3-(Chloromethyl)-2,2-dimethyloxirane (CAS 79457-63-9) is a chemical compound with molecular formula C5H9ClO and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-2,2-dimethyloxirane
Also Known As: 3-(chloromethyl)-2,2-dimethyloxirane, 3-(chloromethyl)-2,2-dimethyl-oxirane, 2,2-dimethyl-3-(chloromethyl)oxirane, 3,3-Dimethyl-2-(chloromethyl)oxirane, 845-663-4
| Molecular Formula | C5H9ClO |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.034195 |
| Heavy Atoms | 7 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 79457-63-9 |
|---|---|
| SMILES | CC1(C(O1)CCl)C |
| InChIKey | CHKXVLMZDALGOS-UHFFFAOYSA-N |
Product Overview
3-(Chloromethyl)-2,2-dimethyloxirane (CAS 79457-63-9), with molecular formula C5H9ClO and molecular weight 120.03 g/mol. IUPAC: 3-(chloromethyl)-2,2-dimethyloxirane.
Chemical Property Profile of 3-(Chloromethyl)-2,2-dimethyloxirane
Property Insights of 3-(Chloromethyl)-2,2-dimethyloxirane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-2,2-dimethyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 3-(Chloromethyl)-2,2-dimethyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-2,2-dimethyloxirane 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 3-(Chloromethyl)-2,2-dimethyloxirane?
The CAS number of 3-(Chloromethyl)-2,2-dimethyloxirane is 79457-63-9.
What is the molecular formula of 3-(Chloromethyl)-2,2-dimethyloxirane?
The molecular formula of 3-(Chloromethyl)-2,2-dimethyloxirane is C5H9ClO.
What is the molecular weight of 3-(Chloromethyl)-2,2-dimethyloxirane?
The molecular weight of 3-(Chloromethyl)-2,2-dimethyloxirane is 120.03 g/mol.
Where can I buy 3-(Chloromethyl)-2,2-dimethyloxirane?
You can request a quote for 3-(Chloromethyl)-2,2-dimethyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-2,2-dimethyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-2,2-dimethyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.