BIM-0044576.P001
TL;DR: BIM-0044576.P001 (CAS 340306-45-8) is a chemical compound with molecular formula C23H21ClN2O7 and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetate
Also Known As: BIM-0044576.P001, ethyl (4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetate, (E)-ethyl 2-(4-((1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-ethoxyphenoxy)acetate, ethyl 2-[4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetate
| Molecular Formula | C23H21ClN2O7 |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 3.347 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.10373 |
| Heavy Atoms | 33 |
| Complexity | 1112.2931 |
Chemical Identifiers
| CAS Number | 340306-45-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OCC(=O)OCC |
Product Overview
BIM-0044576.P001 (CAS 340306-45-8), with molecular formula C23H21ClN2O7 and molecular weight 472.10 g/mol. IUPAC: ethyl 2-[4-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]acetate.
Chemical Property Profile of BIM-0044576.P001
Property Insights of BIM-0044576.P001
The XLogP value of 3.347 indicates that BIM-0044576.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-0044576.P001. Following Lipinski's Rule of Five, BIM-0044576.P001 has 1 hydrogen bond donor(s) and 7 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-0044576.P001?
The CAS number of BIM-0044576.P001 is 340306-45-8.
What is the molecular formula of BIM-0044576.P001?
The molecular formula of BIM-0044576.P001 is C23H21ClN2O7.
What is the molecular weight of BIM-0044576.P001?
The molecular weight of BIM-0044576.P001 is 472.10 g/mol.
Where can I buy BIM-0044576.P001?
You can request a quote for BIM-0044576.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044576.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044576.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.