![2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione structure](/static/products/4304/430432-41-0.webp)
2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
TL;DR: 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione (CAS 430432-41-0) is a chemical compound with molecular formula C16H15BrN2O2 and molecular weight 346.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromoanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione, BAS 01217009, 4-[(4-bromoanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 2-(((4-Bromophenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-([(4-Bromophenyl)amino]methyl)-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3-dione
| Molecular Formula | C16H15BrN2O2 |
|---|---|
| Molecular Weight | 346.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.03168 |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 430432-41-0 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CNC4=CC=C(C=C4)Br |
| InChIKey | XMHPLDXMHVGPMD-UHFFFAOYSA-N |
Product Overview
2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione (CAS 430432-41-0), with molecular formula C16H15BrN2O2 and molecular weight 346.03 g/mol. IUPAC: 4-[(4-bromoanilino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
Property Insights of 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione has 1 hydrogen bond donor(s) and 3 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-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione?
The CAS number of 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione is 430432-41-0.
What is the molecular formula of 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione?
The molecular formula of 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione is C16H15BrN2O2.
What is the molecular weight of 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione?
The molecular weight of 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione is 346.03 g/mol.
Where can I buy 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione?
You can request a quote for 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Bromophenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.