BAS 00529992
TL;DR: BAS 00529992 (CAS 5380-68-7) is a chemical compound with molecular formula C17H9ClF3N3O4 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Also Known As: BAS 00529992, BIM-0019809.P001, AE-641/09781006, 6-{2-[5-(2-chloro-4-nitrophenyl)-2-furyl]vinyl}-4-(trifluoromethyl)-2(1H)-pyrimidinone, 4-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
| Molecular Formula | C17H9ClF3N3O4 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 4.7807 |
| Topological Polar Surface Area | 102.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.02338 |
| Heavy Atoms | 28 |
| Complexity | 1135.1616 |
Chemical Identifiers
| CAS Number | 5380-68-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)/C=C/C3=NC(=O)NC(=C3)C(F)(F)F |
Product Overview
BAS 00529992 (CAS 5380-68-7), with molecular formula C17H9ClF3N3O4 and molecular weight 411.02 g/mol. IUPAC: 4-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.
Chemical Property Profile of BAS 00529992
Property Insights of BAS 00529992
The XLogP value of 4.7807 indicates that BAS 00529992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00529992. Following Lipinski's Rule of Five, BAS 00529992 has 1 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 BAS 00529992?
The CAS number of BAS 00529992 is 5380-68-7.
What is the molecular formula of BAS 00529992?
The molecular formula of BAS 00529992 is C17H9ClF3N3O4.
What is the molecular weight of BAS 00529992?
The molecular weight of BAS 00529992 is 411.02 g/mol.
Where can I buy BAS 00529992?
You can request a quote for BAS 00529992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00529992?
Yes, KEHONG BIO provides custom synthesis services for BAS 00529992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.