ChemDiv1_002094
TL;DR: ChemDiv1_002094 (CAS 306751-63-3) is a chemical compound with molecular formula C26H26BrNO5 and molecular weight 511.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002094, BAS 01051823, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C26H26BrNO5 |
|---|---|
| Molecular Weight | 511.10 g/mol |
| LogP | 5.088 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.09943 |
| Heavy Atoms | 33 |
| Complexity | 1168.7047 |
Chemical Identifiers
| CAS Number | 306751-63-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C)Br)O |
Product Overview
ChemDiv1_002094 (CAS 306751-63-3), with molecular formula C26H26BrNO5 and molecular weight 511.10 g/mol. IUPAC: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002094
Property Insights of ChemDiv1_002094
The XLogP value of 5.088 indicates that ChemDiv1_002094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002094. Following Lipinski's Rule of Five, ChemDiv1_002094 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002094?
The CAS number of ChemDiv1_002094 is 306751-63-3.
What is the molecular formula of ChemDiv1_002094?
The molecular formula of ChemDiv1_002094 is C26H26BrNO5.
What is the molecular weight of ChemDiv1_002094?
The molecular weight of ChemDiv1_002094 is 511.10 g/mol.
Where can I buy ChemDiv1_002094?
You can request a quote for ChemDiv1_002094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002094?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.