Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate
TL;DR: Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate (CAS 81084-29-9) is a chemical compound with molecular formula C7H6F7NO3 and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)acetate
Also Known As: Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate, Glycine, N-heptafluorobutyryl-, methyl ester, Methyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)acetate, RefChem:356724
| Molecular Formula | C7H6F7NO3 |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 1.1085 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.0236 |
| Heavy Atoms | 18 |
| Complexity | 338.42102 |
Chemical Identifiers
| CAS Number | 81084-29-9 |
|---|---|
| SMILES | COC(=O)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate (CAS 81084-29-9), with molecular formula C7H6F7NO3 and molecular weight 285.02 g/mol. IUPAC: methyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)acetate.
Chemical Property Profile of Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate
Property Insights of Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate
The XLogP value of 1.1085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate has 1 hydrogen bond donor(s) and 3 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 N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate?
The CAS number of Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate is 81084-29-9.
What is the molecular formula of Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate?
The molecular formula of Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate is C7H6F7NO3.
What is the molecular weight of Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate?
The molecular weight of Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate is 285.02 g/mol.
Where can I buy Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate?
You can request a quote for Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(2,2,3,3,4,4,4-heptafluorobutanoyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.