3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005148-12-8) is a chemical compound with molecular formula C12H12N4O2 and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(1,2,4-triazol-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-methyl-4-(4H-1,2,4-triazol-4-yl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, (3aS,4S,7aR)-3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C12H12N4O2 |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 0.1113 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.09602 |
| Heavy Atoms | 18 |
| Complexity | 578.9077 |
Chemical Identifiers
| CAS Number | 1005148-12-8 |
|---|---|
| SMILES | CC12C3CC(C1C(=O)N(C2=O)N4C=NN=C4)C=C3 |
Product Overview
3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005148-12-8), with molecular formula C12H12N4O2 and molecular weight 244.10 g/mol. IUPAC: 2-methyl-4-(1,2,4-triazol-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 0.1113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1005148-12-8.
What is the molecular formula of 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C12H12N4O2.
What is the molecular weight of 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 244.10 g/mol.
Where can I buy 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-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 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a-methyl-2-(4H-1,2,4-triazol-4-yl)-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.