ChemDiv1_016402
TL;DR: ChemDiv1_016402 (CAS 423139-70-2) is a chemical compound with molecular formula C24H29ClN2O5 and molecular weight 460.18 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-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
Also Known As: ChemDiv1_016402, AE-848/42025075, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one, 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(4-morpholinylcarbonyl)-4,6,7,8-tetrahydro-5(1H)-quinolinone
| Molecular Formula | C24H29ClN2O5 |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 3.517 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.1765 |
| Heavy Atoms | 32 |
| Complexity | 1037.0703 |
Chemical Identifiers
| CAS Number | 423139-70-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)N4CCOCC4 |
Product Overview
ChemDiv1_016402 (CAS 423139-70-2), with molecular formula C24H29ClN2O5 and molecular weight 460.18 g/mol. IUPAC: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one.
Chemical Property Profile of ChemDiv1_016402
Property Insights of ChemDiv1_016402
The XLogP value of 3.517 indicates that ChemDiv1_016402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_016402. Following Lipinski's Rule of Five, ChemDiv1_016402 has 2 hydrogen bond donor(s) and 6 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_016402?
The CAS number of ChemDiv1_016402 is 423139-70-2.
What is the molecular formula of ChemDiv1_016402?
The molecular formula of ChemDiv1_016402 is C24H29ClN2O5.
What is the molecular weight of ChemDiv1_016402?
The molecular weight of ChemDiv1_016402 is 460.18 g/mol.
Where can I buy ChemDiv1_016402?
You can request a quote for ChemDiv1_016402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016402?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.