BIM-0044052.P001
TL;DR: BIM-0044052.P001 (CAS 340309-09-3) is a chemical compound with molecular formula C21H17BrN2O6 and molecular weight 472.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-2-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: BIM-0044052.P001, (4-bromo-2-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid, (E)-2-(4-bromo-2-((1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetic acid, 2-[4-bromo-2-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C21H17BrN2O6 |
|---|---|
| Molecular Weight | 472.03 g/mol |
| LogP | 3.19574 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.027 |
| Heavy Atoms | 30 |
| Complexity | 1088.4205 |
Chemical Identifiers
| CAS Number | 340309-09-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)O)/C(=O)NC2=O)C |
Product Overview
BIM-0044052.P001 (CAS 340309-09-3), with molecular formula C21H17BrN2O6 and molecular weight 472.03 g/mol. IUPAC: 2-[4-bromo-2-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of BIM-0044052.P001
Property Insights of BIM-0044052.P001
The XLogP value of 3.19574 indicates that BIM-0044052.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-0044052.P001. Following Lipinski's Rule of Five, BIM-0044052.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-0044052.P001?
The CAS number of BIM-0044052.P001 is 340309-09-3.
What is the molecular formula of BIM-0044052.P001?
The molecular formula of BIM-0044052.P001 is C21H17BrN2O6.
What is the molecular weight of BIM-0044052.P001?
The molecular weight of BIM-0044052.P001 is 472.03 g/mol.
Where can I buy BIM-0044052.P001?
You can request a quote for BIM-0044052.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044052.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044052.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.