2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine
TL;DR: 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine (CAS 51802-64-3) is a chemical compound with molecular formula C16H20N4 and molecular weight 268.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[4,5a,6,7,8,9-hexahydro-1,4-benzodiazepine-5,1'-cyclohexane]-2,3-dicarbonitrile
Also Known As: 2,3-dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine, 2W-0200, 4,5a,6,7,8,9-hexahydrospiro[1,4-benzodiazepine-5,1'-cyclohexane]-2,3-dicarbonitrile, spiro[4,5a,6,7,8,9-hexahydro-1,4-benzodiazepine-5,1'-cyclohexane]-2,3-dicarbonitrile, Spiro[3,6-diazabicyclo[5.4.0]undeca-4,6-diene-2,1'-cyclohexane]-4,5-dicarbonitrile
| Molecular Formula | C16H20N4 |
|---|---|
| Molecular Weight | 268.17 g/mol |
| LogP | 3.18246 |
| Topological Polar Surface Area | 71.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.1688 |
| Heavy Atoms | 20 |
| Complexity | 537.8046 |
Chemical Identifiers
| CAS Number | 51802-64-3 |
|---|---|
| SMILES | C1CCC2(CC1)C3CCCCC3=NC(=C(N2)C#N)C#N |
Product Overview
2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine (CAS 51802-64-3), with molecular formula C16H20N4 and molecular weight 268.17 g/mol. IUPAC: spiro[4,5a,6,7,8,9-hexahydro-1,4-benzodiazepine-5,1'-cyclohexane]-2,3-dicarbonitrile.
Chemical Property Profile of 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine
Property Insights of 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine
The XLogP value of 3.18246 indicates that 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine. Following Lipinski's Rule of Five, 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine has 1 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 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine?
The CAS number of 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine is 51802-64-3.
What is the molecular formula of 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine?
The molecular formula of 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine is C16H20N4.
What is the molecular weight of 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine?
The molecular weight of 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine is 268.17 g/mol.
Where can I buy 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine?
You can request a quote for 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dicyano-5,6-tetramethylene-7-spiro-cyclohexyldiazapine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.