Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester
TL;DR: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester (CAS 55429-88-4) is a chemical compound with molecular formula C18H15F7N2O5 and molecular weight 472.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester, [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate, 2,2,3,3,4,4,4-Heptafluorobutanoic acid 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)phenyl ester, [4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] perfluorobutanoate, 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate
| Molecular Formula | C18H15F7N2O5 |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.0869 |
| Heavy Atoms | 32 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 55429-88-4 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)C)C)C2=CC=C(C=C2)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | CRFJBIUIUBLLIQ-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester (CAS 55429-88-4), with molecular formula C18H15F7N2O5 and molecular weight 472.09 g/mol. IUPAC: [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester
Property Insights of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester
The XLogP value of 3.8 indicates that Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester?
The CAS number of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester is 55429-88-4.
What is the molecular formula of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester?
The molecular formula of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester is C18H15F7N2O5.
What is the molecular weight of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester?
The molecular weight of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester is 472.09 g/mol.
Where can I buy Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester?
You can request a quote for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.