ChemDiv1_016224
TL;DR: ChemDiv1_016224 (CAS 423138-40-3) is a chemical compound with molecular formula C25H31N3O6 and molecular weight 469.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
Also Known As: ChemDiv1_016224, 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one, 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one, 4-(4-HYDROXY-3-METHOXY-5-NITROPHENYL)-2,7,7-TRIMETHYL-3-(PIPERIDINE-1-CARBONYL)-1,4,5,6,7,8-HEXAHYDROQUINOLIN-5-ONE, 4-(4-hydroxy-5-methoxy-3-nitrophenyl)-2,7,7-trimethyl-3-(piperidylcarbonyl)-1, 4,6,7,8-pentahydroquinolin-5-one
| Molecular Formula | C25H31N3O6 |
|---|---|
| Molecular Weight | 469.22 g/mol |
| LogP | 3.9255 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.22128 |
| Heavy Atoms | 34 |
| Complexity | 1127.7053 |
Chemical Identifiers
| CAS Number | 423138-40-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)N4CCCCC4 |
Product Overview
ChemDiv1_016224 (CAS 423138-40-3), with molecular formula C25H31N3O6 and molecular weight 469.22 g/mol. IUPAC: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.
Chemical Property Profile of ChemDiv1_016224
Property Insights of ChemDiv1_016224
The XLogP value of 3.9255 indicates that ChemDiv1_016224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016224. Following Lipinski's Rule of Five, ChemDiv1_016224 has 2 hydrogen bond donor(s) and 7 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_016224?
The CAS number of ChemDiv1_016224 is 423138-40-3.
What is the molecular formula of ChemDiv1_016224?
The molecular formula of ChemDiv1_016224 is C25H31N3O6.
What is the molecular weight of ChemDiv1_016224?
The molecular weight of ChemDiv1_016224 is 469.22 g/mol.
Where can I buy ChemDiv1_016224?
You can request a quote for ChemDiv1_016224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016224?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.