![(3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione structure](/static/products/1007/1007930-87-1.webp)
(3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-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-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione (CAS 1007930-87-1) is a chemical compound with molecular formula C17H13ClFNO2 and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-fluorophenyl)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-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 2-(4-chloro-3-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
| Molecular Formula | C17H13ClFNO2 |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 3.1807 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.0619 |
| Heavy Atoms | 22 |
| Complexity | 735.9225 |
Chemical Identifiers
| CAS Number | 1007930-87-1 |
|---|---|
| SMILES | C1CC12C3C=CC2C4C3C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)F |
Product Overview
(3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione (CAS 1007930-87-1), with molecular formula C17H13ClFNO2 and molecular weight 317.06 g/mol. IUPAC: 4-(4-chloro-3-fluorophenyl)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-fluorophenyl)-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-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
The XLogP value of 3.1807 indicates that (3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, (3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-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-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is 1007930-87-1.
What is the molecular formula of (3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-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-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is C17H13ClFNO2.
What is the molecular weight of (3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-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-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione is 317.06 g/mol.
Where can I buy (3aR,4R,7S,7aS)-2-(4-chloro-3-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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.