![(3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione structure](/static/products/100/1008031-86-4.png)
(3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
TL;DR: (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione (CAS 1008031-86-4) is a chemical compound with molecular formula C17H13ClN2O4 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Also Known As: (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
| Molecular Formula | C17H13ClN2O4 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 2.9498 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0564 |
| Heavy Atoms | 24 |
| Complexity | 826.14655 |
Chemical Identifiers
| CAS Number | 1008031-86-4 |
|---|---|
| SMILES | C1CC12C3C=CC2C4C3C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-] |
Product Overview
(3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione (CAS 1008031-86-4), with molecular formula C17H13ClN2O4 and molecular weight 344.06 g/mol. IUPAC: 4-(4-chloro-3-nitrophenyl)spiro[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-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
The XLogP value of 2.9498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione. Following Lipinski's Rule of Five, (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione has 0 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 (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is 1008031-86-4.
What is the molecular formula of (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is C17H13ClN2O4.
What is the molecular weight of (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is 344.06 g/mol.
Where can I buy (3aR,4R,7S,7aS)-2-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-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-(4-chloro-3-nitrophenyl)-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.