ChemDiv1_009961
TL;DR: ChemDiv1_009961 (CAS 431917-95-2) is a chemical compound with molecular formula C20H16N2O6 and molecular weight 380.10 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-prop-2-ynylindol-2-one
Also Known As: ChemDiv1_009961, AB00116186-01, 3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one, 3-hydroxy-3-(2-(4-methoxy-3-nitrophenyl)-2-oxoethyl)-1-(prop-2-yn-1-yl)indolin-2-one, 3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one
| Molecular Formula | C20H16N2O6 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 2.0438 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.10083 |
| Heavy Atoms | 28 |
| Complexity | 1025.5962 |
Chemical Identifiers
| CAS Number | 431917-95-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)CC#C)O)[N+](=O)[O-] |
Product Overview
ChemDiv1_009961 (CAS 431917-95-2), with molecular formula C20H16N2O6 and molecular weight 380.10 g/mol. IUPAC: 3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one.
Chemical Property Profile of ChemDiv1_009961
Property Insights of ChemDiv1_009961
The XLogP value of 2.0438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_009961. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009961. Following Lipinski's Rule of Five, ChemDiv1_009961 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_009961?
The CAS number of ChemDiv1_009961 is 431917-95-2.
What is the molecular formula of ChemDiv1_009961?
The molecular formula of ChemDiv1_009961 is C20H16N2O6.
What is the molecular weight of ChemDiv1_009961?
The molecular weight of ChemDiv1_009961 is 380.10 g/mol.
Where can I buy ChemDiv1_009961?
You can request a quote for ChemDiv1_009961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009961?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.