N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester
TL;DR: N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester (CAS 70771-91-4) is a chemical compound with molecular formula C9H10F7NO3 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)acetate
Also Known As: N-(Heptafluorobutyryl)glycine propyl ester, Propyl 2-(perfluorobutanoyl)aminoacetate, N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester, propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)acetate, Propyl [(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]acetate #
| Molecular Formula | C9H10F7NO3 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.0549 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 70771-91-4 |
|---|---|
| SMILES | CCCOC(=O)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | IDJVVUQVCZCVPE-UHFFFAOYSA-N |
Product Overview
N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester (CAS 70771-91-4), with molecular formula C9H10F7NO3 and molecular weight 313.05 g/mol. IUPAC: propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)acetate.
Chemical Property Profile of N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester
Property Insights of N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester has 1 hydrogen bond donor(s) and 10 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 N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester?
The CAS number of N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester is 70771-91-4.
What is the molecular formula of N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester?
The molecular formula of N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester is C9H10F7NO3.
What is the molecular weight of N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester?
The molecular weight of N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester is 313.05 g/mol.
Where can I buy N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester?
You can request a quote for N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)glycine propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.