1-Bromo-2,2,2-trichloroethyl ethyl propanedioate
TL;DR: 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate (CAS 63732-08-1) is a chemical compound with molecular formula C7H8BrCl3O4 and molecular weight 339.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-(1-bromo-2,2,2-trichloroethyl) 1-O-ethyl propanedioate
Also Known As: Bromotrichloroethyl ethyl malonate, SC 1383, 1-bromo-2,2,2-trichloroethyl ethyl propanedioate, 3-O-(1-bromo-2,2,2-trichloroethyl) 1-O-ethyl propanedioate, Propanedioic acid, (1-bromo-2,2,2-trichloroethyl) ethyl ester
| Molecular Formula | C7H8BrCl3O4 |
|---|---|
| Molecular Weight | 339.87 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.86716 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 63732-08-1 |
|---|---|
| SMILES | CCOC(=O)CC(=O)OC(C(Cl)(Cl)Cl)Br |
| InChIKey | VVVRYQWQSSUBOC-UHFFFAOYSA-N |
Product Overview
1-Bromo-2,2,2-trichloroethyl ethyl propanedioate (CAS 63732-08-1), with molecular formula C7H8BrCl3O4 and molecular weight 339.87 g/mol. IUPAC: 3-O-(1-bromo-2,2,2-trichloroethyl) 1-O-ethyl propanedioate.
Chemical Property Profile of 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate
Property Insights of 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate
The XLogP value of 3.3 indicates that 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate 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-Bromo-2,2,2-trichloroethyl ethyl propanedioate?
The CAS number of 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate is 63732-08-1.
What is the molecular formula of 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate?
The molecular formula of 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate is C7H8BrCl3O4.
What is the molecular weight of 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate?
The molecular weight of 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate is 339.87 g/mol.
Where can I buy 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate?
You can request a quote for 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.