5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
TL;DR: 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CAS 63485-40-5) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 5-methyl-hexahydro-isoindole-1, 5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 5-methyl-octahydro-1H-isoindole-1,3-dione, 5-METHYL-HEXAHYDRO-ISOINDOLE-1,3-DIONE, 5-Methylhexahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 0.6952 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 236.68303 |
Chemical Identifiers
| CAS Number | 63485-40-5 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)NC2=O |
Product Overview
5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CAS 63485-40-5), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Property Insights of 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
The XLogP value of 0.6952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has 1 hydrogen bond donor(s) and 2 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-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The CAS number of 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is 63485-40-5.
What is the molecular formula of 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The molecular formula of 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is C9H13NO2.
What is the molecular weight of 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The molecular weight of 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is 167.09 g/mol.
Where can I buy 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
You can request a quote for 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.