ChemDiv1_002311
TL;DR: ChemDiv1_002311 (CAS 330848-79-8) is a chemical compound with molecular formula C26H26BrNO6 and molecular weight 527.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002311, BAS 01052107, methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, METHYL 4-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-7-(4-METHOXYPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C26H26BrNO6 |
|---|---|
| Molecular Weight | 527.09 g/mol |
| LogP | 4.7065 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 527.09436 |
| Heavy Atoms | 34 |
| Complexity | 1214.5417 |
Chemical Identifiers
| CAS Number | 330848-79-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC |
Product Overview
ChemDiv1_002311 (CAS 330848-79-8), with molecular formula C26H26BrNO6 and molecular weight 527.09 g/mol. IUPAC: methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002311
Property Insights of ChemDiv1_002311
The XLogP value of 4.7065 indicates that ChemDiv1_002311 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_002311. Following Lipinski's Rule of Five, ChemDiv1_002311 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_002311?
The CAS number of ChemDiv1_002311 is 330848-79-8.
What is the molecular formula of ChemDiv1_002311?
The molecular formula of ChemDiv1_002311 is C26H26BrNO6.
What is the molecular weight of ChemDiv1_002311?
The molecular weight of ChemDiv1_002311 is 527.09 g/mol.
Where can I buy ChemDiv1_002311?
You can request a quote for ChemDiv1_002311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002311?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.