ChemDiv1_001824
TL;DR: ChemDiv1_001824 (CAS 313244-32-5) is a chemical compound with molecular formula C25H32BrNO6 and molecular weight 521.14 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)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_001824, BAS 00915209, 2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C25H32BrNO6 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.7371 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1413 |
| Heavy Atoms | 33 |
| Complexity | 1010.39465 |
Chemical Identifiers
| CAS Number | 313244-32-5 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CC(C2)(C)C)C |
Product Overview
ChemDiv1_001824 (CAS 313244-32-5), with molecular formula C25H32BrNO6 and molecular weight 521.14 g/mol. IUPAC: 2-ethoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_001824
Property Insights of ChemDiv1_001824
The XLogP value of 4.7371 indicates that ChemDiv1_001824 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_001824. Following Lipinski's Rule of Five, ChemDiv1_001824 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001824?
The CAS number of ChemDiv1_001824 is 313244-32-5.
What is the molecular formula of ChemDiv1_001824?
The molecular formula of ChemDiv1_001824 is C25H32BrNO6.
What is the molecular weight of ChemDiv1_001824?
The molecular weight of ChemDiv1_001824 is 521.14 g/mol.
Where can I buy ChemDiv1_001824?
You can request a quote for ChemDiv1_001824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001824?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.