ChemDiv1_018096
TL;DR: ChemDiv1_018096 (CAS 347313-26-2) 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.
(4-methoxyphenyl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_018096, 4-methoxybenzyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (4-methoxyphenyl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-p entahydroquinoline-3-carboxylate, (4-methoxyphenyl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C26H26BrNO5 |
|---|---|
| Molecular Weight | 511.10 g/mol |
| LogP | 5.1776 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.09943 |
| Heavy Atoms | 33 |
| Complexity | 1149.7722 |
Chemical Identifiers
| CAS Number | 347313-26-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)Br)OC)C(=O)OCC4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_018096 (CAS 347313-26-2), with molecular formula C26H26BrNO5 and molecular weight 511.10 g/mol. IUPAC: (4-methoxyphenyl)methyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018096
Property Insights of ChemDiv1_018096
The XLogP value of 5.1776 indicates that ChemDiv1_018096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018096. Following Lipinski's Rule of Five, ChemDiv1_018096 has 1 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_018096?
The CAS number of ChemDiv1_018096 is 347313-26-2.
What is the molecular formula of ChemDiv1_018096?
The molecular formula of ChemDiv1_018096 is C26H26BrNO5.
What is the molecular weight of ChemDiv1_018096?
The molecular weight of ChemDiv1_018096 is 511.10 g/mol.
Where can I buy ChemDiv1_018096?
You can request a quote for ChemDiv1_018096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018096?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.