BIM-0044478.P001
TL;DR: BIM-0044478.P001 (CAS 340308-78-3) is a chemical compound with molecular formula C18H12ClN3O7 and molecular weight 417.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-chlorophenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0044478.P001, (5E)-1-(4-chlorophenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-chlorophenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H12ClN3O7 |
|---|---|
| Molecular Weight | 417.04 g/mol |
| LogP | 2.6288 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.03638 |
| Heavy Atoms | 29 |
| Complexity | 1079.6074 |
Chemical Identifiers
| CAS Number | 340308-78-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
BIM-0044478.P001 (CAS 340308-78-3), with molecular formula C18H12ClN3O7 and molecular weight 417.04 g/mol. IUPAC: (5E)-1-(4-chlorophenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0044478.P001
Property Insights of BIM-0044478.P001
The XLogP value of 2.6288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0044478.P001. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0044478.P001. Following Lipinski's Rule of Five, BIM-0044478.P001 has 2 hydrogen bond donor(s) and 7 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-0044478.P001?
The CAS number of BIM-0044478.P001 is 340308-78-3.
What is the molecular formula of BIM-0044478.P001?
The molecular formula of BIM-0044478.P001 is C18H12ClN3O7.
What is the molecular weight of BIM-0044478.P001?
The molecular weight of BIM-0044478.P001 is 417.04 g/mol.
Where can I buy BIM-0044478.P001?
You can request a quote for BIM-0044478.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044478.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044478.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.