2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate
TL;DR: 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate (CAS 173558-71-9) is a chemical compound with molecular formula C4H3F3N2O2 and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-diazo-3,3,3-trifluoropropanoate
Also Known As: Methyl 2-Diazo-3,3,3-trifluoro-propionate, METHYL 2-DIAZO-3,3,3-TRIFLUOROPROPANOATE, 2-diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate, methyl 2-diazo-3,3,3-trifluoropropionate, methyl 2-diazo-3,3,3-trifluoro-propanoate
| Molecular Formula | C4H3F3N2O2 |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.01466 |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 173558-71-9 |
|---|---|
| SMILES | COC(=O)C(=[N+]=[N-])C(F)(F)F |
| InChIKey | CRPRBPSWJPEAMC-UHFFFAOYSA-N |
Product Overview
2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate (CAS 173558-71-9), with molecular formula C4H3F3N2O2 and molecular weight 168.01 g/mol. IUPAC: methyl 2-diazo-3,3,3-trifluoropropanoate.
Chemical Property Profile of 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate
Property Insights of 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate. With a topological polar surface area (TPSA) of 28.3 Ų, 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate 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 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate?
The CAS number of 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate is 173558-71-9.
What is the molecular formula of 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate?
The molecular formula of 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate is C4H3F3N2O2.
What is the molecular weight of 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate?
The molecular weight of 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate is 168.01 g/mol.
Where can I buy 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate?
You can request a quote for 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-Diazonio-3,3,3-trifluoro-1-methoxyprop-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.