1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol
TL;DR: 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol (CAS 124369-11-5) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)pyridin-2-one
Also Known As: 1,1-Dnpi, 1,1-dimethyl-5-nitro-3- indan-2-ol, 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol, 1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)pyridin-2-one, trans-1,1-dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 124369-11-5 |
|---|---|
| SMILES | CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])N3C=CC=CC3=O)O)C |
| InChIKey | XSUATPWEEHNFMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol (CAS 124369-11-5), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)pyridin-2-one.
Chemical Property Profile of 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol
Property Insights of 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol. Following Lipinski's Rule of Five, 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol has 1 hydrogen bond donor(s) and 4 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 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol?
The CAS number of 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol is 124369-11-5.
What is the molecular formula of 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol?
The molecular formula of 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol is C16H16N2O4.
What is the molecular weight of 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol?
The molecular weight of 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol is 300.11 g/mol.
Where can I buy 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol?
You can request a quote for 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-5-nitro-3-(2-pyridon-1-yl)indan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.