ChemDiv1_000084
TL;DR: ChemDiv1_000084 (CAS 296263-07-5) is a chemical compound with molecular formula C18H19F5N2O4 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000084, BAS 00232723, 2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2,2,3,3,3-pentafluoropropyl 4-methyl-2-oxo-6-(2-propoxyphenyl)-1,3,6-trihydrop yrimidine-5-carboxylate
| Molecular Formula | C18H19F5N2O4 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.8441 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1265 |
| Heavy Atoms | 29 |
| Complexity | 807.68634 |
Chemical Identifiers
| CAS Number | 296263-07-5 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCC(C(F)(F)F)(F)F |
Product Overview
ChemDiv1_000084 (CAS 296263-07-5), with molecular formula C18H19F5N2O4 and molecular weight 422.13 g/mol. IUPAC: 2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000084
Property Insights of ChemDiv1_000084
The XLogP value of 3.8441 indicates that ChemDiv1_000084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000084. Following Lipinski's Rule of Five, ChemDiv1_000084 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000084?
The CAS number of ChemDiv1_000084 is 296263-07-5.
What is the molecular formula of ChemDiv1_000084?
The molecular formula of ChemDiv1_000084 is C18H19F5N2O4.
What is the molecular weight of ChemDiv1_000084?
The molecular weight of ChemDiv1_000084 is 422.13 g/mol.
Where can I buy ChemDiv1_000084?
You can request a quote for ChemDiv1_000084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000084?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.