1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide
TL;DR: 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide (CAS 77381-15-8) is a chemical compound with molecular formula C31H36N8 and molecular weight 520.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide
Also Known As: 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide, 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl, (1E,7E)-N'~1~,N'~7~-Di-tert-butyl-4,4-dicyano-N'~1~,N'~7~-bis(2-cyanophenyl)heptanediimidamide
| Molecular Formula | C31H36N8 |
|---|---|
| Molecular Weight | 520.31 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 520.3063 |
| Heavy Atoms | 39 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 77381-15-8 |
|---|---|
| SMILES | CC(C)(C)N=C(CCC(CCC(=NC(C)(C)C)NC1=CC=CC=C1C#N)(C#N)C#N)NC2=CC=CC=C2C#N |
| InChIKey | OHLIEKUTHOAYHK-UHFFFAOYSA-N |
Product Overview
1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide (CAS 77381-15-8), with molecular formula C31H36N8 and molecular weight 520.31 g/mol. IUPAC: 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide.
Chemical Property Profile of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide
Property Insights of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide
The XLogP value of 4.7 indicates that 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide?
The CAS number of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide is 77381-15-8.
What is the molecular formula of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide?
The molecular formula of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide is C31H36N8.
What is the molecular weight of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide?
The molecular weight of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide is 520.31 g/mol.
Where can I buy 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide?
You can request a quote for 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide?
Yes, KEHONG BIO provides custom synthesis services for 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.