ChemDiv1_016264
TL;DR: ChemDiv1_016264 (CAS 423136-99-6) is a chemical compound with molecular formula C24H29BrN2O4 and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
Also Known As: ChemDiv1_016264, AE-848/42025136, 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-3-(1-piperidinylcarbonyl)-4,6,7,8-tetrahydro-5(1H)-quinolinone, 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one, 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
| Molecular Formula | C24H29BrN2O4 |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 4.5338 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.13107 |
| Heavy Atoms | 31 |
| Complexity | 976.03656 |
Chemical Identifiers
| CAS Number | 423136-99-6 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)N4CCCCC4)C)Br)O |
Product Overview
ChemDiv1_016264 (CAS 423136-99-6), with molecular formula C24H29BrN2O4 and molecular weight 488.13 g/mol. IUPAC: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.
Chemical Property Profile of ChemDiv1_016264
Property Insights of ChemDiv1_016264
The XLogP value of 4.5338 indicates that ChemDiv1_016264 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016264. Following Lipinski's Rule of Five, ChemDiv1_016264 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_016264?
The CAS number of ChemDiv1_016264 is 423136-99-6.
What is the molecular formula of ChemDiv1_016264?
The molecular formula of ChemDiv1_016264 is C24H29BrN2O4.
What is the molecular weight of ChemDiv1_016264?
The molecular weight of ChemDiv1_016264 is 488.13 g/mol.
Where can I buy ChemDiv1_016264?
You can request a quote for ChemDiv1_016264 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016264?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.