BIM-0013908.P001
TL;DR: BIM-0013908.P001 (CAS 424804-90-0) is a chemical compound with molecular formula C23H21BrN2O7 and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: BIM-0013908.P001, methyl (5-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate, (E)-methyl 2-(5-bromo-4-((1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxyphenoxy)acetate, methyl 2-[5-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C23H21BrN2O7 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 3.29274 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.0532 |
| Heavy Atoms | 33 |
| Complexity | 1169.3226 |
Chemical Identifiers
| CAS Number | 424804-90-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3Br)OCC(=O)OC)OC)/C(=O)NC2=O)C |
Product Overview
BIM-0013908.P001 (CAS 424804-90-0), with molecular formula C23H21BrN2O7 and molecular weight 516.05 g/mol. IUPAC: methyl 2-[5-bromo-4-[(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of BIM-0013908.P001
Property Insights of BIM-0013908.P001
The XLogP value of 3.29274 indicates that BIM-0013908.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0013908.P001. Following Lipinski's Rule of Five, BIM-0013908.P001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0013908.P001?
The CAS number of BIM-0013908.P001 is 424804-90-0.
What is the molecular formula of BIM-0013908.P001?
The molecular formula of BIM-0013908.P001 is C23H21BrN2O7.
What is the molecular weight of BIM-0013908.P001?
The molecular weight of BIM-0013908.P001 is 516.05 g/mol.
Where can I buy BIM-0013908.P001?
You can request a quote for BIM-0013908.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0013908.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0013908.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.