7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)
TL;DR: 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) (CAS 87896-44-4) is a chemical compound with molecular formula C22H24N6O and molecular weight 388.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)oxy]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Also Known As: 7,7'-Oxybis(2,3,4,5-tetrahydro-4-methyl-1H-1,5-benzodiazepine-2-carbonitrile), 1H-1,5-BENZODIAZEPINE-2-CARBONITRILE, 7,7'-OXYBIS(2,3,4,5-TETRAHYDRO-4-METHYL-, 7,7'-oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile), 7-[(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)oxy]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile, RefChem:1074254
| Molecular Formula | C22H24N6O |
|---|---|
| Molecular Weight | 388.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.20117 |
| Heavy Atoms | 29 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 87896-44-4 |
|---|---|
| SMILES | CC1CC(NC2=C(N1)C=C(C=C2)OC3=CC4=C(C=C3)NC(CC(N4)C)C#N)C#N |
| InChIKey | SDYYJDRCPVUGDM-UHFFFAOYSA-N |
Product Overview
7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) (CAS 87896-44-4), with molecular formula C22H24N6O and molecular weight 388.20 g/mol. IUPAC: 7-[(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)oxy]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile.
Chemical Property Profile of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)
Property Insights of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)
The XLogP value of 4.2 indicates that 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile). Following Lipinski's Rule of Five, 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) 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
Frequently Asked Questions
What is the CAS number of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)?
The CAS number of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) is 87896-44-4.
What is the molecular formula of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)?
The molecular formula of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) is C22H24N6O.
What is the molecular weight of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)?
The molecular weight of 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) is 388.20 g/mol.
Where can I buy 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)?
You can request a quote for 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)?
Yes, KEHONG BIO provides custom synthesis services for 7,7'-Oxybis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.