BIM-0039504.P001
TL;DR: BIM-0039504.P001 (CAS 5972-51-0) is a chemical compound with molecular formula C22H16N4O6 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0039504.P001, (5Z)-1-(4-METHOXYPHENYL)-5-{[1-(3-NITROPHENYL)-1H-PYRROL-2-YL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE, 1-(4-methoxyphenyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C22H16N4O6 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 3.0605 |
| Topological Polar Surface Area | 123.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.107 |
| Heavy Atoms | 32 |
| Complexity | 1275.583 |
Chemical Identifiers
| CAS Number | 5972-51-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)NC2=O |
Product Overview
BIM-0039504.P001 (CAS 5972-51-0), with molecular formula C22H16N4O6 and molecular weight 432.11 g/mol. IUPAC: (5Z)-1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0039504.P001
Property Insights of BIM-0039504.P001
The XLogP value of 3.0605 indicates that BIM-0039504.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039504.P001. Following Lipinski's Rule of Five, BIM-0039504.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-0039504.P001?
The CAS number of BIM-0039504.P001 is 5972-51-0.
What is the molecular formula of BIM-0039504.P001?
The molecular formula of BIM-0039504.P001 is C22H16N4O6.
What is the molecular weight of BIM-0039504.P001?
The molecular weight of BIM-0039504.P001 is 432.11 g/mol.
Where can I buy BIM-0039504.P001?
You can request a quote for BIM-0039504.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039504.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039504.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.