(3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1008652-43-4) is a chemical compound with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromophenyl)-10-cyclohexylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C21H20BrNO2 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 4.6312 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.06775 |
| Heavy Atoms | 25 |
| Complexity | 798.05273 |
Chemical Identifiers
| CAS Number | 1008652-43-4 |
|---|---|
| SMILES | C1CCC(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC(=CC=C5)Br)CC1 |
Product Overview
(3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1008652-43-4), with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol. IUPAC: 4-(3-bromophenyl)-10-cyclohexylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 4.6312 indicates that (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1008652-43-4.
What is the molecular formula of (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C21H20BrNO2.
What is the molecular weight of (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 397.07 g/mol.
Where can I buy (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4R,7S,7aS)-2-(3-bromophenyl)-8-cyclohexylidene-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.