5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one
TL;DR: 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one (CAS 2107-85-9) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-hydroxyimino-5,6-dimethoxy-3H-inden-1-one
Also Known As: 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one, 7172AD, 1H-Indene-1,2(3H)-dione, 5,6-dimethoxy-, 2-oxime, (2E)-2-hydroxyimino-5,6-dimethoxy-3H-inden-1-one, (2E)-2-hydroxyimino-5,6-dimethoxy-indan-1-one
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.2728 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 479.11807 |
Chemical Identifiers
| CAS Number | 2107-85-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C/C(=N\O)/C2=O)OC |
Product Overview
5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one (CAS 2107-85-9), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: (2E)-2-hydroxyimino-5,6-dimethoxy-3H-inden-1-one.
Chemical Property Profile of 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one
Property Insights of 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one
The XLogP value of 1.2728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one. Following Lipinski's Rule of Five, 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one has 1 hydrogen bond donor(s) and 5 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 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one?
The CAS number of 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one is 2107-85-9.
What is the molecular formula of 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one?
The molecular formula of 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one is C11H11NO4.
What is the molecular weight of 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one?
The molecular weight of 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one is 221.07 g/mol.
Where can I buy 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one?
You can request a quote for 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethoxy-2-nitroso-2,3-dihydro-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.