ChemDiv1_008748
TL;DR: ChemDiv1_008748 (CAS 420098-11-9) is a chemical compound with molecular formula C26H25BrClNO4 and molecular weight 529.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_008748, 2-methoxyethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,6,7,8-p entahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C26H25BrClNO4 |
|---|---|
| Molecular Weight | 529.07 g/mol |
| LogP | 5.6537 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.06555 |
| Heavy Atoms | 33 |
| Complexity | 1139.2358 |
Chemical Identifiers
| CAS Number | 420098-11-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Br)C(=O)OCCOC |
Product Overview
ChemDiv1_008748 (CAS 420098-11-9), with molecular formula C26H25BrClNO4 and molecular weight 529.07 g/mol. IUPAC: 2-methoxyethyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008748
Property Insights of ChemDiv1_008748
The XLogP value of 5.6537 indicates that ChemDiv1_008748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008748. Following Lipinski's Rule of Five, ChemDiv1_008748 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008748?
The CAS number of ChemDiv1_008748 is 420098-11-9.
What is the molecular formula of ChemDiv1_008748?
The molecular formula of ChemDiv1_008748 is C26H25BrClNO4.
What is the molecular weight of ChemDiv1_008748?
The molecular weight of ChemDiv1_008748 is 529.07 g/mol.
Where can I buy ChemDiv1_008748?
You can request a quote for ChemDiv1_008748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008748?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.