N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid
TL;DR: N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid (CAS 95654-14-1) is a chemical compound with molecular formula C22H32F7NO7 and molecular weight 555.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributan-2-yl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate
Also Known As: Hfb-gla, N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid, gamma-Carboxyglutamic acid n-heptafluorobutyryl isobutyl ester, tributan-2-yl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate, 1,1,3-Propanetricarboxylic acid, 3-((2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino)-, tris(2-methylpropyl) ester
| Molecular Formula | C22H32F7NO7 |
|---|---|
| Molecular Weight | 555.21 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 555.2067 |
| Heavy Atoms | 37 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 95654-14-1 |
|---|---|
| SMILES | CCC(C)OC(=O)C(CC(C(=O)OC(C)CC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OC(C)CC |
| InChIKey | KYUCASQEHSSEQO-UHFFFAOYSA-N |
Product Overview
N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid (CAS 95654-14-1), with molecular formula C22H32F7NO7 and molecular weight 555.21 g/mol. IUPAC: tributan-2-yl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate.
Chemical Property Profile of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid
Property Insights of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid
The XLogP value of 6.2 indicates that N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid. Following Lipinski's Rule of Five, N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid?
The CAS number of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid is 95654-14-1.
What is the molecular formula of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid?
The molecular formula of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid is C22H32F7NO7.
What is the molecular weight of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid?
The molecular weight of N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid is 555.21 g/mol.
Where can I buy N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid?
You can request a quote for N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.