2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 2021-19-4) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 4-Cyclohexene-1, N-butyl-, N-Butyl-1,2,3,6-tetrahydronaphthalimide, 4-Cyclohexene-1,2-dicarboximide, N-butyl-, N-Butyl-1,3,6-tetrahydronaphthalimide, 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 2021-19-4 |
|---|---|
| SMILES | CCCCN1C(=O)C2CC=CCC2C1=O |
| InChIKey | HZZBHUQGZJXCEV-UHFFFAOYSA-N |
Product Overview
2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 2021-19-4), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-butyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione has 0 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 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 2021-19-4.
What is the molecular formula of 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C12H17NO2.
What is the molecular weight of 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 207.13 g/mol.
Where can I buy 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-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-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.