2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate
TL;DR: 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate (CAS 59866-72-7) is a chemical compound with molecular formula C5H4Br5ClO2 and molecular weight 525.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-tribromo-1-chloroethyl) 2,3-dibromopropanoate
Also Known As: 2,2,2-tribromo-1-chloroethyl 2,3-dibromopropanoate, 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate, (2,2,2-tribromo-1-chloroethyl) 2,3-dibromopropanoate, 2,2,2-Tribromo-1-chloroethyl2,3-dibromopropionate, 2,3-Dibromopropanoic acid 2,2,2-tribromo-1-chloroethyl ester
| Molecular Formula | C5H4Br5ClO2 |
|---|---|
| Molecular Weight | 525.58 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.5776 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 59866-72-7 |
|---|---|
| SMILES | C(C(C(=O)OC(C(Br)(Br)Br)Cl)Br)Br |
| InChIKey | NGCYKKQMUGJOQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate (CAS 59866-72-7), with molecular formula C5H4Br5ClO2 and molecular weight 525.58 g/mol. IUPAC: (2,2,2-tribromo-1-chloroethyl) 2,3-dibromopropanoate.
Chemical Property Profile of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate
Property Insights of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate
The XLogP value of 4.8 indicates that 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate?
The CAS number of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate is 59866-72-7.
What is the molecular formula of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate?
The molecular formula of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate is C5H4Br5ClO2.
What is the molecular weight of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate?
The molecular weight of 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate is 525.58 g/mol.
Where can I buy 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate?
You can request a quote for 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.