![(3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione structure](/static/products/100/1008865-72-2.png)
(3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
TL;DR: (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione (CAS 1008865-72-2) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Also Known As: (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 2-(propan-2-yl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 1.592 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 426.84268 |
Chemical Identifiers
| CAS Number | 1008865-72-2 |
|---|---|
| SMILES | CC(C)N1C(=O)C2C3C=CC(C2C1=O)C34CC4 |
Product Overview
(3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione (CAS 1008865-72-2), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 4-propan-2-ylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
Chemical Property Profile of (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Property Insights of (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
The XLogP value of 1.592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione. With a topological polar surface area (TPSA) of 37.38 Ų, (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-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 (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione?
The CAS number of (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is 1008865-72-2.
What is the molecular formula of (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione?
The molecular formula of (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is C14H17NO2.
What is the molecular weight of (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione?
The molecular weight of (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is 231.13 g/mol.
Where can I buy (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione?
You can request a quote for (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-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 (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4R,7S,7aS)-2-isopropyl-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.