4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
TL;DR: 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 55429-80-6) is a chemical compound with molecular formula C17H21F7N2O5 and molecular weight 466.13 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)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate, Butanoic acid, heptafluoro-, 3-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)-1-methylbutyl ester, 4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl heptafluorobutanoate, 3-(5-Ethyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-1-methylbutyl 2,2,3,3,4,4,4-heptafluorobutanoate #, 4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-2-pentanyl heptafluorobutanoate
| Molecular Formula | C17H21F7N2O5 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.13388 |
| Heavy Atoms | 31 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 55429-80-6 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)C)C)C(C)CC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | WMVPGTWSTPAZCV-UHFFFAOYSA-N |
Product Overview
4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 55429-80-6), with molecular formula C17H21F7N2O5 and molecular weight 466.13 g/mol. IUPAC: 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Property Insights of 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
The XLogP value of 3.9 indicates that 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate 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 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate. Following Lipinski's Rule of Five, 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate 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 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
The CAS number of 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate is 55429-80-6.
What is the molecular formula of 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular formula of 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate is C17H21F7N2O5.
What is the molecular weight of 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular weight of 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate is 466.13 g/mol.
Where can I buy 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
You can request a quote for 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.