RefChem:1074253
TL;DR: RefChem:1074253 (CAS 87896-43-3) is a chemical compound with molecular formula C23H24N6O and molecular weight 400.20117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carbonyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Also Known As: 7,7'-Carbonylbis(2,3,4,5-tetrahydro-4-methyl-1H-1,5-benzodiazepine-2-carbonitrile), 1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-carbonylbis(2,3,4,5-tetrahydro-4-methyl-, 7,7'-carbonylbis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile), 1H-1,5-BENZODIAZEPINE-2-CARBONITRILE, 7,7'-CARBONYLBIS(2,3,4,5-TETRAHYDRO-4-METH, 7-(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carbonyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Technical Specifications
| Molecular Formula | C23H24N6O |
| Molecular Weight | 400.20117 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.20117 Da |
| Heavy Atoms | 30 |
| Complexity | 676.0 |
| SMILES | CC1CC(NC2=C(N1)C=C(C=C2)C(=O)C3=CC4=C(C=C3)NC(CC(N4)C)C#N)C#N |
| InChIKey | MXKHSGSMNMWXGP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1074253
Property Insights of RefChem:1074253
The XLogP value of 4.0 indicates that RefChem:1074253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074253. Following Lipinski's Rule of Five, RefChem:1074253 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1074253?
The CAS number of RefChem:1074253 is 87896-43-3.
What is the molecular formula of RefChem:1074253?
The molecular formula of RefChem:1074253 is C23H24N6O.
What is the molecular weight of RefChem:1074253?
The molecular weight of RefChem:1074253 is 400.20117 g/mol.
Where can I buy RefChem:1074253?
You can request a quote for RefChem:1074253 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1074253?
Yes, CoreyChem provides custom synthesis services for RefChem:1074253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.