BIM-0019947.P001
TL;DR: BIM-0019947.P001 (CAS 5381-10-2) is a chemical compound with molecular formula C18H12F3N3O5 and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Also Known As: BIM-0019947.P001, 4-{2-[5-(4-methoxy-2-nitrophenyl)-2-furyl]vinyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone, 4-[(E)-2-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one, 4-{(1E)-2-[5-(4-methoxy-2-nitrophenyl)(2-furyl)]vinyl}-6-(trifluoromethyl)-3-h ydropyrimidin-2-one, 4-{(E)-2-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]ethen-1-yl}-6-(trifluoromethyl)pyrimidin-2(1H)-one
| Molecular Formula | C18H12F3N3O5 |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 4.1359 |
| Topological Polar Surface Area | 111.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0729 |
| Heavy Atoms | 29 |
| Complexity | 1148.1288 |
Chemical Identifiers
| CAS Number | 5381-10-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2=CC=C(O2)/C=C/C3=NC(=O)NC(=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
BIM-0019947.P001 (CAS 5381-10-2), with molecular formula C18H12F3N3O5 and molecular weight 407.07 g/mol. IUPAC: 4-[(E)-2-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.
Chemical Property Profile of BIM-0019947.P001
Property Insights of BIM-0019947.P001
The XLogP value of 4.1359 indicates that BIM-0019947.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0019947.P001. Following Lipinski's Rule of Five, BIM-0019947.P001 has 1 hydrogen bond donor(s) and 6 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 BIM-0019947.P001?
The CAS number of BIM-0019947.P001 is 5381-10-2.
What is the molecular formula of BIM-0019947.P001?
The molecular formula of BIM-0019947.P001 is C18H12F3N3O5.
What is the molecular weight of BIM-0019947.P001?
The molecular weight of BIM-0019947.P001 is 407.07 g/mol.
Where can I buy BIM-0019947.P001?
You can request a quote for BIM-0019947.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0019947.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0019947.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.