BIM-0039866.P001
TL;DR: BIM-0039866.P001 (CAS 5986-87-8) is a chemical compound with molecular formula C21H17FN2O5 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-fluorophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0039866.P001, (5E)-1-(4-fluorophenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-fluorophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-Fluorophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione, 5-[4-(allyloxy)-3-methoxybenzylidene]-1-(4-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C21H17FN2O5 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.0655 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.11215 |
| Heavy Atoms | 29 |
| Complexity | 1014.23157 |
Chemical Identifiers
| CAS Number | 5986-87-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)OCC=C |
Product Overview
BIM-0039866.P001 (CAS 5986-87-8), with molecular formula C21H17FN2O5 and molecular weight 396.11 g/mol. IUPAC: (5E)-1-(4-fluorophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0039866.P001
Property Insights of BIM-0039866.P001
The XLogP value of 3.0655 indicates that BIM-0039866.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039866.P001. Following Lipinski's Rule of Five, BIM-0039866.P001 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 BIM-0039866.P001?
The CAS number of BIM-0039866.P001 is 5986-87-8.
What is the molecular formula of BIM-0039866.P001?
The molecular formula of BIM-0039866.P001 is C21H17FN2O5.
What is the molecular weight of BIM-0039866.P001?
The molecular weight of BIM-0039866.P001 is 396.11 g/mol.
Where can I buy BIM-0039866.P001?
You can request a quote for BIM-0039866.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039866.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039866.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.