ChemDiv1_016308
TL;DR: ChemDiv1_016308 (CAS 423137-10-4) is a chemical compound with molecular formula C25H31ClN2O4 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
Also Known As: ChemDiv1_016308, AE-848/42025139, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(1-piperidinylcarbonyl)-4,6,7,8-tetrahydro-5(1H)-quinolinone
| Molecular Formula | C25H31ClN2O4 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 4.6707 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.19724 |
| Heavy Atoms | 32 |
| Complexity | 1034.6227 |
Chemical Identifiers
| CAS Number | 423137-10-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)N4CCCCC4 |
Product Overview
ChemDiv1_016308 (CAS 423137-10-4), with molecular formula C25H31ClN2O4 and molecular weight 458.20 g/mol. IUPAC: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.
Chemical Property Profile of ChemDiv1_016308
Property Insights of ChemDiv1_016308
The XLogP value of 4.6707 indicates that ChemDiv1_016308 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_016308. Following Lipinski's Rule of Five, ChemDiv1_016308 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_016308?
The CAS number of ChemDiv1_016308 is 423137-10-4.
What is the molecular formula of ChemDiv1_016308?
The molecular formula of ChemDiv1_016308 is C25H31ClN2O4.
What is the molecular weight of ChemDiv1_016308?
The molecular weight of ChemDiv1_016308 is 458.20 g/mol.
Where can I buy ChemDiv1_016308?
You can request a quote for ChemDiv1_016308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016308?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.