BIM-0048890.P001
TL;DR: BIM-0048890.P001 (CAS 340308-70-5) is a chemical compound with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-bromo-2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: BIM-0048890.P001, (5-bromo-2-methoxy-4-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, 2-[5-bromo-2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid, (5-bromo-4-{(E)-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid, (E)-2-(5-bromo-2-methoxy-4-((2,4,6-trioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 2.89592 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1109.4565 |
Chemical Identifiers
| CAS Number | 340308-70-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3Br)OCC(=O)O)OC)/C(=O)NC2=O |
Product Overview
BIM-0048890.P001 (CAS 340308-70-5), with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol. IUPAC: 2-[5-bromo-2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of BIM-0048890.P001
Property Insights of BIM-0048890.P001
The XLogP value of 2.89592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0048890.P001. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0048890.P001. Following Lipinski's Rule of Five, BIM-0048890.P001 has 2 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-0048890.P001?
The CAS number of BIM-0048890.P001 is 340308-70-5.
What is the molecular formula of BIM-0048890.P001?
The molecular formula of BIM-0048890.P001 is C21H17BrN2O7.
What is the molecular weight of BIM-0048890.P001?
The molecular weight of BIM-0048890.P001 is 488.02 g/mol.
Where can I buy BIM-0048890.P001?
You can request a quote for BIM-0048890.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0048890.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0048890.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.