ChemDiv1_018012
TL;DR: ChemDiv1_018012 (CAS 347319-55-5) is a chemical compound with molecular formula C26H24ClNO6 and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_018012, A2555/0108808, 2-phenoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 4-(6-chloro(2H-benzo[d]1,3-dioxolan-5-yl))-2-methyl-5-oxo-1,4,6 ,7,8-pentahydroquinoline-3-carboxylate, 2-phenoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C26H24ClNO6 |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 4.6588 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.1292 |
| Heavy Atoms | 34 |
| Complexity | 1203.2716 |
Chemical Identifiers
| CAS Number | 347319-55-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCCOC5=CC=CC=C5 |
Product Overview
ChemDiv1_018012 (CAS 347319-55-5), with molecular formula C26H24ClNO6 and molecular weight 481.13 g/mol. IUPAC: 2-phenoxyethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018012
Property Insights of ChemDiv1_018012
The XLogP value of 4.6588 indicates that ChemDiv1_018012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018012. Following Lipinski's Rule of Five, ChemDiv1_018012 has 1 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_018012?
The CAS number of ChemDiv1_018012 is 347319-55-5.
What is the molecular formula of ChemDiv1_018012?
The molecular formula of ChemDiv1_018012 is C26H24ClNO6.
What is the molecular weight of ChemDiv1_018012?
The molecular weight of ChemDiv1_018012 is 481.13 g/mol.
Where can I buy ChemDiv1_018012?
You can request a quote for ChemDiv1_018012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018012?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.