1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate
TL;DR: 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate (CAS 70-01-9) is a chemical compound with molecular formula C20H28N10O6 and molecular weight 504.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-3-methylphenyl]-2-methylphenyl]ethylideneamino]guanidine;bis(nitric acid)
Also Known As: 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate, 3,3'-Dimethyl-4,4'-diacetyldiphenyl-bisguanylhydrazonedinitrate, Guanidine, 1,1'-((3,3'-dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))di-, dinitrate, 2-[1-[4-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-3-methylphenyl]-2-methylphenyl]ethylideneamino]guanidine; nitric acid, Nitric acid--2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)di(eth-1-yl-1-ylidene)]di(hydrazine-1-carboximidamide) (2/1)
| Molecular Formula | C20H28N10O6 |
|---|---|
| Molecular Weight | 504.22 g/mol |
| LogP | 1.26984 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.21933 |
| Heavy Atoms | 36 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 70-01-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)C(=NN=C(N)N)C)C)C(=NN=C(N)N)C.[N+](=O)(O)[O-].[N+](=O)(O)[O-] |
| InChIKey | XFLBSLMWBWNDKH-UHFFFAOYSA-N |
Product Overview
1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate (CAS 70-01-9), with molecular formula C20H28N10O6 and molecular weight 504.22 g/mol. IUPAC: 2-[1-[4-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-3-methylphenyl]-2-methylphenyl]ethylideneamino]guanidine;bis(nitric acid).
Chemical Property Profile of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate
Property Insights of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate
The XLogP value of 1.26984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate. The TPSA of 286.0 Ų indicates high polarity, suggesting 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate?
The CAS number of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate is 70-01-9.
What is the molecular formula of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate?
The molecular formula of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate is C20H28N10O6.
What is the molecular weight of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate?
The molecular weight of 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate is 504.22 g/mol.
Where can I buy 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate?
You can request a quote for 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((3,3'-Dimethyl-4,4'-biphenylylene(ethylidynenitrilo)))diguanidine dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.