ChemDiv1_000040
TL;DR: ChemDiv1_000040 (CAS 296263-02-0) is a chemical compound with molecular formula C17H17F5N2O5 and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,3-pentafluoropropyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000040, 2,2,3,3,3-pentafluoropropyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, BAS 00381138, F0037-8267, 2,2,3,3,3-pentafluoropropyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H17F5N2O5 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 3.0725 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10577 |
| Heavy Atoms | 29 |
| Complexity | 837.9928 |
Chemical Identifiers
| CAS Number | 296263-02-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OCC(C(F)(F)F)(F)F |
Product Overview
ChemDiv1_000040 (CAS 296263-02-0), with molecular formula C17H17F5N2O5 and molecular weight 424.11 g/mol. IUPAC: 2,2,3,3,3-pentafluoropropyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000040
Property Insights of ChemDiv1_000040
The XLogP value of 3.0725 indicates that ChemDiv1_000040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000040. Following Lipinski's Rule of Five, ChemDiv1_000040 has 2 hydrogen bond donor(s) and 5 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_000040?
The CAS number of ChemDiv1_000040 is 296263-02-0.
What is the molecular formula of ChemDiv1_000040?
The molecular formula of ChemDiv1_000040 is C17H17F5N2O5.
What is the molecular weight of ChemDiv1_000040?
The molecular weight of ChemDiv1_000040 is 424.11 g/mol.
Where can I buy ChemDiv1_000040?
You can request a quote for ChemDiv1_000040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000040?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.