1,2-Bis(chloroacetoxy)propane
TL;DR: 1,2-Bis(chloroacetoxy)propane (CAS 42831-64-1) is a chemical compound with molecular formula C7H10Cl2O4 and molecular weight 228.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroacetyl)oxypropyl 2-chloroacetate
Also Known As: 1,2-Bis(chloroacetoxy)propane, 2-(2-chloroacetyl)oxypropyl 2-chloroacetate, Bis 1-methyl-1,2-ethanediylester, Acetic acid, chloro-, 1-methyl-1,2-ethanediyl ester, Bis(chloroacetic acid)propylene ester
| Molecular Formula | C7H10Cl2O4 |
|---|---|
| Molecular Weight | 228.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 227.99562 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 42831-64-1 |
|---|---|
| SMILES | CC(COC(=O)CCl)OC(=O)CCl |
| InChIKey | RVKVLMMCZLSUGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(chloroacetoxy)propane (CAS 42831-64-1), with molecular formula C7H10Cl2O4 and molecular weight 228.00 g/mol. IUPAC: 2-(2-chloroacetyl)oxypropyl 2-chloroacetate.
Chemical Property Profile of 1,2-Bis(chloroacetoxy)propane
Property Insights of 1,2-Bis(chloroacetoxy)propane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(chloroacetoxy)propane. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Bis(chloroacetoxy)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(chloroacetoxy)propane has 0 hydrogen bond donor(s) and 4 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-Bis(chloroacetoxy)propane?
The CAS number of 1,2-Bis(chloroacetoxy)propane is 42831-64-1.
What is the molecular formula of 1,2-Bis(chloroacetoxy)propane?
The molecular formula of 1,2-Bis(chloroacetoxy)propane is C7H10Cl2O4.
What is the molecular weight of 1,2-Bis(chloroacetoxy)propane?
The molecular weight of 1,2-Bis(chloroacetoxy)propane is 228.00 g/mol.
Where can I buy 1,2-Bis(chloroacetoxy)propane?
You can request a quote for 1,2-Bis(chloroacetoxy)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(chloroacetoxy)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(chloroacetoxy)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.