(2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one
TL;DR: (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one (CAS 80070-35-5) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-hydroxyimino-3-methyl-3H-inden-1-one
Also Known As: 3-Methyl-1,2-indandione 2-oxime, J1.403.573G, 2-(hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one, 2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-indene-1-one, 1H-Indene-1,2(3H)-dione, 3-methyl-, 2-oxime, (E)-
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.8166 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 395.66614 |
Chemical Identifiers
| CAS Number | 80070-35-5 |
|---|---|
| SMILES | CC\1C2=CC=CC=C2C(=O)/C1=N/O |
Product Overview
(2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one (CAS 80070-35-5), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: (2E)-2-hydroxyimino-3-methyl-3H-inden-1-one.
Chemical Property Profile of (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one
Property Insights of (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one
The XLogP value of 1.8166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one. With a topological polar surface area (TPSA) of 49.66 Ų, (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one has 1 hydrogen bond donor(s) and 3 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 (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one?
The CAS number of (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one is 80070-35-5.
What is the molecular formula of (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one?
The molecular formula of (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one is C10H9NO2.
What is the molecular weight of (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one?
The molecular weight of (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one is 175.06 g/mol.
Where can I buy (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one?
You can request a quote for (2E)-2-(Hydroxyimino)-3-methyl-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 (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(Hydroxyimino)-3-methyl-2,3-dihydro-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.