RefChem:505753
TL;DR: RefChem:505753 (CAS 71205-38-4) is a chemical compound with molecular formula C20H14BrNO4 and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate
Also Known As: ethyl 6-bromo-3-methyl-2, 6-Bromo-1-(ethoxycarbonyl)-3-methyl-7H-dibenz(f,ij)isoquinoline-2,7(3H)-dione, 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl ester, 3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl ester, 6-Bromo-1-(ethoxycarbonyl)-3-methyl-7H-dibenz[f,7(3H)-dione
| Molecular Formula | C20H14BrNO4 |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.01062 |
| Heavy Atoms | 26 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 71205-38-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=CC(=C42)N(C1=O)C)Br |
| InChIKey | QMEYRRLFSLHNJG-UHFFFAOYSA-N |
Product Overview
RefChem:505753 (CAS 71205-38-4), with molecular formula C20H14BrNO4 and molecular weight 411.01 g/mol. IUPAC: ethyl 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate.
Chemical Property Profile of RefChem:505753
Property Insights of RefChem:505753
The XLogP value of 3.3 indicates that RefChem:505753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505753. Following Lipinski's Rule of Five, RefChem:505753 has 0 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 RefChem:505753?
The CAS number of RefChem:505753 is 71205-38-4.
What is the molecular formula of RefChem:505753?
The molecular formula of RefChem:505753 is C20H14BrNO4.
What is the molecular weight of RefChem:505753?
The molecular weight of RefChem:505753 is 411.01 g/mol.
Where can I buy RefChem:505753?
You can request a quote for RefChem:505753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.