2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione
TL;DR: 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione (CAS 5122-79-2) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2,6-dimethyl-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione, 4-Aethyl-1-hydroxy-bicyclo<2.2.2>octan-3-on
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 5122-79-2 |
|---|---|
| SMILES | CC12C3CCC(C1(C(=O)C(C2=O)N)C)O3 |
| InChIKey | SEXMUWILSXKREW-UHFFFAOYSA-N |
Product Overview
2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione (CAS 5122-79-2), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 4-amino-2,6-dimethyl-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione
Property Insights of 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione
The XLogP value of -0.2 indicates that 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione. Following Lipinski's Rule of Five, 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione 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 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione?
The CAS number of 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione is 5122-79-2.
What is the molecular formula of 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione?
The molecular formula of 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione is C11H15NO3.
What is the molecular weight of 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione?
The molecular weight of 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione is 209.11 g/mol.
Where can I buy 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione?
You can request a quote for 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3a,7a-dimethylhexahydro-1h-4,7-epoxyindene-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.