1-Acetoxy-2,3-dibromopropane
TL;DR: 1-Acetoxy-2,3-dibromopropane (CAS 6970-90-7) is a chemical compound with molecular formula C5H8Br2O2 and molecular weight 257.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromopropyl acetate
Also Known As: 2,3-dibromopropyl acetate, 1-acetoxy-2,3-dibromopropane, 1-Propanol,3-dibromo-, acetate, 1-Propanol, 2,3-dibromo-, acetate, Acetic acid 2,3-dibromopropyl ester
| Molecular Formula | C5H8Br2O2 |
|---|---|
| Molecular Weight | 257.89 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.8891 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 6970-90-7 |
|---|---|
| SMILES | CC(=O)OCC(CBr)Br |
| InChIKey | XBRBHDGRUHMMCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetoxy-2,3-dibromopropane (CAS 6970-90-7), with molecular formula C5H8Br2O2 and molecular weight 257.89 g/mol. IUPAC: 2,3-dibromopropyl acetate.
Chemical Property Profile of 1-Acetoxy-2,3-dibromopropane
Property Insights of 1-Acetoxy-2,3-dibromopropane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetoxy-2,3-dibromopropane. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Acetoxy-2,3-dibromopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetoxy-2,3-dibromopropane has 0 hydrogen bond donor(s) and 2 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-Acetoxy-2,3-dibromopropane?
The CAS number of 1-Acetoxy-2,3-dibromopropane is 6970-90-7.
What is the molecular formula of 1-Acetoxy-2,3-dibromopropane?
The molecular formula of 1-Acetoxy-2,3-dibromopropane is C5H8Br2O2.
What is the molecular weight of 1-Acetoxy-2,3-dibromopropane?
The molecular weight of 1-Acetoxy-2,3-dibromopropane is 257.89 g/mol.
Where can I buy 1-Acetoxy-2,3-dibromopropane?
You can request a quote for 1-Acetoxy-2,3-dibromopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxy-2,3-dibromopropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxy-2,3-dibromopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.