1-Methylethyl perfluorobutanimidoate
TL;DR: 1-Methylethyl perfluorobutanimidoate (CAS 4192-05-6) is a chemical compound with molecular formula C7H8F7NO and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanimidate
Also Known As: 1-Methylethyl perfluorobutanimidoate, NCIOpen2_004301, propan-2-yl(1z)-2,2,3,3,4,4,4-heptafluorobutanimidoate, 2,2,3,3,4,4,4-Heptafluor-buttersaeureimido-, propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanimidate
| Molecular Formula | C7H8F7NO |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.04941 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 4192-05-6 |
|---|---|
| SMILES | CC(C)OC(=N)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | MCKRJDYXIPRUNQ-UHFFFAOYSA-N |
Product Overview
1-Methylethyl perfluorobutanimidoate (CAS 4192-05-6), with molecular formula C7H8F7NO and molecular weight 255.05 g/mol. IUPAC: propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanimidate.
Chemical Property Profile of 1-Methylethyl perfluorobutanimidoate
Property Insights of 1-Methylethyl perfluorobutanimidoate
The XLogP value of 3.5 indicates that 1-Methylethyl perfluorobutanimidoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.1 Ų, 1-Methylethyl perfluorobutanimidoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl perfluorobutanimidoate 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 1-Methylethyl perfluorobutanimidoate?
The CAS number of 1-Methylethyl perfluorobutanimidoate is 4192-05-6.
What is the molecular formula of 1-Methylethyl perfluorobutanimidoate?
The molecular formula of 1-Methylethyl perfluorobutanimidoate is C7H8F7NO.
What is the molecular weight of 1-Methylethyl perfluorobutanimidoate?
The molecular weight of 1-Methylethyl perfluorobutanimidoate is 255.05 g/mol.
Where can I buy 1-Methylethyl perfluorobutanimidoate?
You can request a quote for 1-Methylethyl perfluorobutanimidoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl perfluorobutanimidoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl perfluorobutanimidoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.