1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide
TL;DR: 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide (CAS 77448-90-9) is a chemical compound with molecular formula C29H34Cl4N6 and molecular weight 606.16 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(2,6-dichlorophenyl)heptanediimidamide
Also Known As: 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide, 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorop, (1E,7E)-N'~1~,N'~7~-Di-tert-butyl-4,4-dicyano-N'~1~,N'~7~-bis(2,6-dichlorophenyl)heptanediimidamide
| Molecular Formula | C29H34Cl4N6 |
|---|---|
| Molecular Weight | 606.16 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.1599 |
| Heavy Atoms | 39 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 77448-90-9 |
|---|---|
| SMILES | CC(C)(C)N=C(CCC(CCC(=NC(C)(C)C)NC1=C(C=CC=C1Cl)Cl)(C#N)C#N)NC2=C(C=CC=C2Cl)Cl |
| InChIKey | WEXCSDOBXLSDMY-UHFFFAOYSA-N |
Product Overview
1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide (CAS 77448-90-9), with molecular formula C29H34Cl4N6 and molecular weight 606.16 g/mol. IUPAC: 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide.
Chemical Property Profile of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide
Property Insights of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide
The XLogP value of 6.7 indicates that 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide. Following Lipinski's Rule of Five, 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide has 2 hydrogen bond donor(s) and 4 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(2,6-dichlorophenyl)heptanediimidamide?
The CAS number of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide is 77448-90-9.
What is the molecular formula of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide?
The molecular formula of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide is C29H34Cl4N6.
What is the molecular weight of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide?
The molecular weight of 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide is 606.16 g/mol.
Where can I buy 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide?
You can request a quote for 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)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(2,6-dichlorophenyl)heptanediimidamide?
Yes, KEHONG BIO provides custom synthesis services for 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2,6-dichlorophenyl)heptanediimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.