1,2,3-Trichloropropane-2,3-oxide
TL;DR: 1,2,3-Trichloropropane-2,3-oxide (CAS 67664-94-2) is a chemical compound with molecular formula C3H3Cl3O and molecular weight 159.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-2-(chloromethyl)oxirane
Also Known As: Trichloropropylene, 1,2,3-Trichloropropane-2,3-oxide, 2,3-dichloro-2-(chloromethyl)oxirane, Propane, 1,2-epoxy-1,2,3-trichloro-, 1,2,3-Trichloropropane 2,3-epoxide
| Molecular Formula | C3H3Cl3O |
|---|---|
| Molecular Weight | 159.92 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 | 159.92494 |
| Heavy Atoms | 7 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 67664-94-2 |
|---|---|
| SMILES | C(C1(C(O1)Cl)Cl)Cl |
| InChIKey | DYECKDYMOMKTBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trichloropropane-2,3-oxide (CAS 67664-94-2), with molecular formula C3H3Cl3O and molecular weight 159.92 g/mol. IUPAC: 2,3-dichloro-2-(chloromethyl)oxirane.
Chemical Property Profile of 1,2,3-Trichloropropane-2,3-oxide
Property Insights of 1,2,3-Trichloropropane-2,3-oxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trichloropropane-2,3-oxide. With a topological polar surface area (TPSA) of 12.5 Ų, 1,2,3-Trichloropropane-2,3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trichloropropane-2,3-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 1,2,3-Trichloropropane-2,3-oxide?
The CAS number of 1,2,3-Trichloropropane-2,3-oxide is 67664-94-2.
What is the molecular formula of 1,2,3-Trichloropropane-2,3-oxide?
The molecular formula of 1,2,3-Trichloropropane-2,3-oxide is C3H3Cl3O.
What is the molecular weight of 1,2,3-Trichloropropane-2,3-oxide?
The molecular weight of 1,2,3-Trichloropropane-2,3-oxide is 159.92 g/mol.
Where can I buy 1,2,3-Trichloropropane-2,3-oxide?
You can request a quote for 1,2,3-Trichloropropane-2,3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trichloropropane-2,3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trichloropropane-2,3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.