![Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester structure](/static/products/5542/55429-89-5.webp)
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester
TL;DR: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester (CAS 55429-89-5) is a chemical compound with molecular formula C18H21F7N2O5 and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dimethyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester, 2,2,3,3,4,4,4-HEPTAFLUOROBUTANOIC ACID 3-[HEXAHYDRO-1,3-DIMETHYL-2,4,6-TRIOXO-5-(2-PROPENYL)PYRIMIDIN-5-YL ]-1-METHYLBUTYL ESTER, 2,2,3,3,4,4,4-Heptafluorobutanoic acid 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)pyrimidin-5-yl]-1-methylbutyl ester, 2,2,3,3,4,4,4-Heptafluorobutanoicacid3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5- pyrimidin-5-yl]-1-methylbutylester, 3-(5-Allyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-1-methylbutyl 2,2,3,3,4,4,4-heptafluorobutanoate #
| Molecular Formula | C18H21F7N2O5 |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.13388 |
| Heavy Atoms | 32 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 55429-89-5 |
|---|---|
| SMILES | CC(CC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1(C(=O)N(C(=O)N(C1=O)C)C)CC=C |
| InChIKey | DOMOJXYDOWCKDI-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester (CAS 55429-89-5), with molecular formula C18H21F7N2O5 and molecular weight 478.13 g/mol. IUPAC: 4-(1,3-dimethyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester
Property Insights of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester
The XLogP value of 4.1 indicates that Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl 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-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl 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-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester?
The CAS number of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester is 55429-89-5.
What is the molecular formula of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester?
The molecular formula of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester is C18H21F7N2O5.
What is the molecular weight of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester?
The molecular weight of Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester is 478.13 g/mol.
Where can I buy Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester?
You can request a quote for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl 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-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 3-[hexahydro-1,3-dimethyl-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl]-1,3-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.