BIM-0004533.P001
TL;DR: BIM-0004533.P001 (CAS 347379-45-7) is a chemical compound with molecular formula C26H20N2O6 and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(E)-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: BIM-0004533.P001, 3-[(4-{(E)-[1-(2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, (E)-3-((4-((2,4,6-trioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzoic acid, 3-[[4-[(E)-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C26H20N2O6 |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 3.93862 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.13214 |
| Heavy Atoms | 34 |
| Complexity | 1327.1273 |
Chemical Identifiers
| CAS Number | 347379-45-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC(=CC=C4)C(=O)O)/C(=O)NC2=O |
Product Overview
BIM-0004533.P001 (CAS 347379-45-7), with molecular formula C26H20N2O6 and molecular weight 456.13 g/mol. IUPAC: 3-[[4-[(E)-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of BIM-0004533.P001
Property Insights of BIM-0004533.P001
The XLogP value of 3.93862 indicates that BIM-0004533.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0004533.P001. Following Lipinski's Rule of Five, BIM-0004533.P001 has 2 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-0004533.P001?
The CAS number of BIM-0004533.P001 is 347379-45-7.
What is the molecular formula of BIM-0004533.P001?
The molecular formula of BIM-0004533.P001 is C26H20N2O6.
What is the molecular weight of BIM-0004533.P001?
The molecular weight of BIM-0004533.P001 is 456.13 g/mol.
Where can I buy BIM-0004533.P001?
You can request a quote for BIM-0004533.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0004533.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0004533.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.