AB00404333-07
TL;DR: AB00404333-07 (CAS 1005083-18-0) is a chemical compound with molecular formula C20H22BrNO6 and molecular weight 451.06305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-6-carboxylate
Also Known As: AB00404333-07, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,3,4,6,7,8-hex ahydroquinoline-6-carboxylate, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-6-carboxylate
Technical Specifications
| Molecular Formula | C20H22BrNO6 |
| Molecular Weight | 451.06305 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.06305 Da |
| Heavy Atoms | 28 |
| Complexity | 692.0 |
| SMILES | CCOC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C(=O)C(C(C3)C)C(=O)OC)Br)O |
| InChIKey | YFNQXFWZDSWJQG-UHFFFAOYSA-N |
Chemical Property Profile of AB00404333-07
Property Insights of AB00404333-07
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00404333-07. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00404333-07. Following Lipinski's Rule of Five, AB00404333-07 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00404333-07?
The CAS number of AB00404333-07 is 1005083-18-0.
What is the molecular formula of AB00404333-07?
The molecular formula of AB00404333-07 is C20H22BrNO6.
What is the molecular weight of AB00404333-07?
The molecular weight of AB00404333-07 is 451.06305 g/mol.
Where can I buy AB00404333-07?
You can request a quote for AB00404333-07 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00404333-07?
Yes, CoreyChem provides custom synthesis services for AB00404333-07 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.