ChemDiv1_002086
TL;DR: ChemDiv1_002086 (CAS 313244-28-9) is a chemical compound with molecular formula C23H28BrNO6 and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002086, BAS 00915203, BIM-0031707.P001, 2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C23H28BrNO6 |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 4.101 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.11 |
| Heavy Atoms | 31 |
| Complexity | 936.23956 |
Chemical Identifiers
| CAS Number | 313244-28-9 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CCC2)C |
Product Overview
ChemDiv1_002086 (CAS 313244-28-9), with molecular formula C23H28BrNO6 and molecular weight 493.11 g/mol. IUPAC: 2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002086
Property Insights of ChemDiv1_002086
The XLogP value of 4.101 indicates that ChemDiv1_002086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002086. Following Lipinski's Rule of Five, ChemDiv1_002086 has 2 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 ChemDiv1_002086?
The CAS number of ChemDiv1_002086 is 313244-28-9.
What is the molecular formula of ChemDiv1_002086?
The molecular formula of ChemDiv1_002086 is C23H28BrNO6.
What is the molecular weight of ChemDiv1_002086?
The molecular weight of ChemDiv1_002086 is 493.11 g/mol.
Where can I buy ChemDiv1_002086?
You can request a quote for ChemDiv1_002086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002086?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.