3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime
TL;DR: 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime (CAS 494853-28-0) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-hydroxyimino-3a,6a-dimethyl-1,3,4,6-tetrahydropentalen-2-ylidene)hydroxylamine
Also Known As: 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime, AN-907/14236028, N-(5-hydroxyimino-3a,6a-dimethyl-1,3,4,6-tetrahydropentalen-2-ylidene)hydroxylamine
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 2.247 |
| Topological Polar Surface Area | 65.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 272.08368 |
Chemical Identifiers
| CAS Number | 494853-28-0 |
|---|---|
| SMILES | CC12CC(=NO)CC1(CC(=NO)C2)C |
Product Overview
3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime (CAS 494853-28-0), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: N-(5-hydroxyimino-3a,6a-dimethyl-1,3,4,6-tetrahydropentalen-2-ylidene)hydroxylamine.
Chemical Property Profile of 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime
Property Insights of 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime
The XLogP value of 2.247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime. The TPSA of 65.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime. Following Lipinski's Rule of Five, 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime has 2 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 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime?
The CAS number of 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime is 494853-28-0.
What is the molecular formula of 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime?
The molecular formula of 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime is C10H16N2O2.
What is the molecular weight of 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime?
The molecular weight of 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime is 196.12 g/mol.
Where can I buy 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime?
You can request a quote for 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime?
Yes, KEHONG BIO provides custom synthesis services for 3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione dioxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.