BIM-0043247.P001
TL;DR: BIM-0043247.P001 (CAS 6058-58-8) is a chemical compound with molecular formula C19H13BrN2O5 and molecular weight 428.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoic acid
Also Known As: BIM-0043247.P001, 4-[(E)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoic acid, 4-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}benzoic acid, 4-{(E)-[1-(4-Bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoic acid, 4-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene]met hyl}benzoic acid
| Molecular Formula | C19H13BrN2O5 |
|---|---|
| Molecular Weight | 428.00 g/mol |
| LogP | 3.12212 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.0008 |
| Heavy Atoms | 27 |
| Complexity | 1011.26013 |
Chemical Identifiers
| CAS Number | 6058-58-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C(=O)NC2=O)Br |
Product Overview
BIM-0043247.P001 (CAS 6058-58-8), with molecular formula C19H13BrN2O5 and molecular weight 428.00 g/mol. IUPAC: 4-[(E)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of BIM-0043247.P001
Property Insights of BIM-0043247.P001
The XLogP value of 3.12212 indicates that BIM-0043247.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0043247.P001. Following Lipinski's Rule of Five, BIM-0043247.P001 has 2 hydrogen bond donor(s) and 4 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-0043247.P001?
The CAS number of BIM-0043247.P001 is 6058-58-8.
What is the molecular formula of BIM-0043247.P001?
The molecular formula of BIM-0043247.P001 is C19H13BrN2O5.
What is the molecular weight of BIM-0043247.P001?
The molecular weight of BIM-0043247.P001 is 428.00 g/mol.
Where can I buy BIM-0043247.P001?
You can request a quote for BIM-0043247.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0043247.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0043247.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.