Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate
TL;DR: Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate (CAS 2992-92-9) is a chemical compound with molecular formula C5H4F7NO and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3,3,4,4,4-heptafluorobutanimidate
Also Known As: methyl 2,2,3,3,4,4,4-heptafluorobutanimidate, Heptafluor-buttersaeure-imid-methylester, methyl(1z)-2,2,3,3,4,4,4-heptafluorobutanimidoate, Butanimidic acid,2,2,3,3,4,4,4-heptafluoro-, methyl ester
| Molecular Formula | C5H4F7NO |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.01811 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 2992-92-9 |
|---|---|
| SMILES | COC(=N)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | ZZGLJPLEJAVUAB-UHFFFAOYSA-N |
Product Overview
Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate (CAS 2992-92-9), with molecular formula C5H4F7NO and molecular weight 227.02 g/mol. IUPAC: methyl 2,2,3,3,4,4,4-heptafluorobutanimidate.
Chemical Property Profile of Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate
Property Insights of Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate has 1 hydrogen bond donor(s) and 9 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 Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate?
The CAS number of Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate is 2992-92-9.
What is the molecular formula of Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate?
The molecular formula of Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate is C5H4F7NO.
What is the molecular weight of Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate?
The molecular weight of Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate is 227.02 g/mol.
Where can I buy Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate?
You can request a quote for Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,3,3,4,4,4-heptafluorobutanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.