11J-036
TL;DR: 11J-036 (CAS 130506-91-1) is a chemical compound with molecular formula C11H7N5 and molecular weight 209.07014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile
Also Known As: 11J-036, 6-methylpyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carbonitrile, 10-methyl-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile, 10-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile, 10-methyl-2,3,7,11-tetraazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-5-carbonitrile
Technical Specifications
| Molecular Formula | C11H7N5 |
| Molecular Weight | 209.07014 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.07014 Da |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
| SMILES | CC1=NC=CC2=C1C=NC3=C(C=NN23)C#N |
| InChIKey | NIGKDSDCDONCCL-UHFFFAOYSA-N |
Chemical Property Profile of 11J-036
Property Insights of 11J-036
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11J-036. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 11J-036. Following Lipinski's Rule of Five, 11J-036 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
What is the CAS number of 11J-036?
The CAS number of 11J-036 is 130506-91-1.
What is the molecular formula of 11J-036?
The molecular formula of 11J-036 is C11H7N5.
What is the molecular weight of 11J-036?
The molecular weight of 11J-036 is 209.07014 g/mol.
Where can I buy 11J-036?
You can request a quote for 11J-036 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11J-036?
Yes, CoreyChem provides custom synthesis services for 11J-036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.