BIM-0044578.P001
TL;DR: BIM-0044578.P001 (CAS 340299-97-0) is a chemical compound with molecular formula C22H17BrN2O5 and molecular weight 468.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0044578.P001, (5E)-5-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-[2-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C22H17BrN2O5 |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 3.44452 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.03207 |
| Heavy Atoms | 30 |
| Complexity | 1099.7463 |
Chemical Identifiers
| CAS Number | 340299-97-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3Br)OCC#C)OC)/C(=O)NC2=O |
Product Overview
BIM-0044578.P001 (CAS 340299-97-0), with molecular formula C22H17BrN2O5 and molecular weight 468.03 g/mol. IUPAC: (5E)-5-[(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0044578.P001
Property Insights of BIM-0044578.P001
The XLogP value of 3.44452 indicates that BIM-0044578.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-0044578.P001. Following Lipinski's Rule of Five, BIM-0044578.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-0044578.P001?
The CAS number of BIM-0044578.P001 is 340299-97-0.
What is the molecular formula of BIM-0044578.P001?
The molecular formula of BIM-0044578.P001 is C22H17BrN2O5.
What is the molecular weight of BIM-0044578.P001?
The molecular weight of BIM-0044578.P001 is 468.03 g/mol.
Where can I buy BIM-0044578.P001?
You can request a quote for BIM-0044578.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044578.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044578.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.