2-Chloro-3-(chloromethyl)oxirane
TL;DR: 2-Chloro-3-(chloromethyl)oxirane (CAS 66826-72-0) is a chemical compound with molecular formula C3H4Cl2O and molecular weight 125.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-chloro-3-(chloromethyl)oxirane
Also Known As: cis-1,3-Dichloropropene oxide, 2-Chloro-3-(chloromethyl)oxirane, 1,3-dichloropropene oxide, (2r,3s)-2-chloro-3-(chloromethyl)oxirane, cis-2-Chloro-3-(chloromethyl)oxirane
| Molecular Formula | C3H4Cl2O |
|---|---|
| Molecular Weight | 125.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.96392 |
| Heavy Atoms | 6 |
| Complexity | 56.0 |
Chemical Identifiers
| CAS Number | 66826-72-0 |
|---|---|
| SMILES | C([C@H]1[C@H](O1)Cl)Cl |
| InChIKey | RLGCGUQZAWGNEO-HRFVKAFMSA-N |
Product Overview
2-Chloro-3-(chloromethyl)oxirane (CAS 66826-72-0), with molecular formula C3H4Cl2O and molecular weight 125.96 g/mol. IUPAC: (2R,3S)-2-chloro-3-(chloromethyl)oxirane.
Chemical Property Profile of 2-Chloro-3-(chloromethyl)oxirane
Property Insights of 2-Chloro-3-(chloromethyl)oxirane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(chloromethyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-Chloro-3-(chloromethyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(chloromethyl)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-Chloro-3-(chloromethyl)oxirane?
The CAS number of 2-Chloro-3-(chloromethyl)oxirane is 66826-72-0.
What is the molecular formula of 2-Chloro-3-(chloromethyl)oxirane?
The molecular formula of 2-Chloro-3-(chloromethyl)oxirane is C3H4Cl2O.
What is the molecular weight of 2-Chloro-3-(chloromethyl)oxirane?
The molecular weight of 2-Chloro-3-(chloromethyl)oxirane is 125.96 g/mol.
Where can I buy 2-Chloro-3-(chloromethyl)oxirane?
You can request a quote for 2-Chloro-3-(chloromethyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(chloromethyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(chloromethyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.