Ethyl 2-Diazo-3,3,3-trifluoro-propionate
TL;DR: Ethyl 2-Diazo-3,3,3-trifluoro-propionate (CAS 59733-95-8) is a chemical compound with molecular formula C5H5F3N2O2 and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-diazo-3,3,3-trifluoropropanoate
Also Known As: Ethyl 2-Diazo-3,3,3-trifluoro-propionate, ETHYL 2-DIAZO-3,3,3-TRIFLUOROPROPANOATE, ethyl 2-diazo-3,3,3-trifluoropropionate, ethyl 3,3,3-trifluoro-2-diazopropionate, ethyl 2-diazo-3,3,3-trifluoro-propanoate
| Molecular Formula | C5H5F3N2O2 |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.03032 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 59733-95-8 |
|---|---|
| SMILES | CCOC(=O)C(=[N+]=[N-])C(F)(F)F |
| InChIKey | GXFLKLPWJHICEV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-Diazo-3,3,3-trifluoro-propionate (CAS 59733-95-8), with molecular formula C5H5F3N2O2 and molecular weight 182.03 g/mol. IUPAC: ethyl 2-diazo-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-Diazo-3,3,3-trifluoro-propionate
Property Insights of Ethyl 2-Diazo-3,3,3-trifluoro-propionate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-Diazo-3,3,3-trifluoro-propionate. With a topological polar surface area (TPSA) of 28.3 Ų, Ethyl 2-Diazo-3,3,3-trifluoro-propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-Diazo-3,3,3-trifluoro-propionate has 0 hydrogen bond donor(s) and 6 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 Ethyl 2-Diazo-3,3,3-trifluoro-propionate?
The CAS number of Ethyl 2-Diazo-3,3,3-trifluoro-propionate is 59733-95-8.
What is the molecular formula of Ethyl 2-Diazo-3,3,3-trifluoro-propionate?
The molecular formula of Ethyl 2-Diazo-3,3,3-trifluoro-propionate is C5H5F3N2O2.
What is the molecular weight of Ethyl 2-Diazo-3,3,3-trifluoro-propionate?
The molecular weight of Ethyl 2-Diazo-3,3,3-trifluoro-propionate is 182.03 g/mol.
Where can I buy Ethyl 2-Diazo-3,3,3-trifluoro-propionate?
You can request a quote for Ethyl 2-Diazo-3,3,3-trifluoro-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-Diazo-3,3,3-trifluoro-propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-Diazo-3,3,3-trifluoro-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.