ChemDiv1_010005
TL;DR: ChemDiv1_010005 (CAS 431895-46-4) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1-methylindol-2-one
Also Known As: ChemDiv1_010005, CBKinase1_001767, CBKinase1_014167, AB00115958-01, 3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1-methyl-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 2.0404 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 925.6474 |
Chemical Identifiers
| CAS Number | 431895-46-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])O |
Product Overview
ChemDiv1_010005 (CAS 431895-46-4), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: 3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1-methylindol-2-one.
Chemical Property Profile of ChemDiv1_010005
Property Insights of ChemDiv1_010005
The XLogP value of 2.0404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010005. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010005. Following Lipinski's Rule of Five, ChemDiv1_010005 has 1 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_010005?
The CAS number of ChemDiv1_010005 is 431895-46-4.
What is the molecular formula of ChemDiv1_010005?
The molecular formula of ChemDiv1_010005 is C18H16N2O6.
What is the molecular weight of ChemDiv1_010005?
The molecular weight of ChemDiv1_010005 is 356.10 g/mol.
Where can I buy ChemDiv1_010005?
You can request a quote for ChemDiv1_010005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010005?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.