DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-
TL;DR: DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- (CAS 55255-99-7) is a chemical compound with molecular formula C22H12F21NO6 and molecular weight 785.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-, Heptafluorobutyric acid 4-[2-[N-(heptafluorobutyryl)-N-methylamino]-1-[(heptafluorobutyryl)oxy]ethyl]-2-methoxyphenyl ester, [4-[2-[(Perfluorobutanoyl)(methyl)amino]-1-(perfluorobutanoyloxy)ethyl]-2-methoxyphenyl] perfluorobutanoate, [4-[2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate, 2-(2,2,3,3,4,4,4-heptafluoro-N-methylbutanamido)-1-{4-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]-3-methoxyphenyl}ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C22H12F21NO6 |
|---|---|
| Molecular Weight | 785.03 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 785.03296 |
| Heavy Atoms | 50 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 55255-99-7 |
|---|---|
| SMILES | CN(CC(C1=CC(=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | DQVQZQMDDNPFGN-UHFFFAOYSA-N |
Product Overview
DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- (CAS 55255-99-7), with molecular formula C22H12F21NO6 and molecular weight 785.03 g/mol. IUPAC: [4-[2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-
Property Insights of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-
The XLogP value of 8.2 indicates that DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. Following Lipinski's Rule of Five, DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- has 0 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-?
The CAS number of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- is 55255-99-7.
What is the molecular formula of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-?
The molecular formula of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- is C22H12F21NO6.
What is the molecular weight of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-?
The molecular weight of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- is 785.03 g/mol.
Where can I buy DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-?
You can request a quote for DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-?
Yes, KEHONG BIO provides custom synthesis services for DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.