4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)
TL;DR: 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) (CAS 7478-70-8) is a chemical compound with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[4-(dimethylamino)-2-nitrophenyl]ethyl]-N,N-dimethyl-3-nitroaniline
Also Known As: 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline), 4-[1-[4-(dimethylamino)-2-nitrophenyl]ethyl]-N,N-dimethyl-3-nitroaniline
| Molecular Formula | C18H22N4O4 |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1641 |
| Heavy Atoms | 26 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 7478-70-8 |
|---|---|
| SMILES | CC(C1=C(C=C(C=C1)N(C)C)[N+](=O)[O-])C2=C(C=C(C=C2)N(C)C)[N+](=O)[O-] |
| InChIKey | OQBINJJMZNJIQA-UHFFFAOYSA-N |
Product Overview
4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) (CAS 7478-70-8), with molecular formula C18H22N4O4 and molecular weight 358.16 g/mol. IUPAC: 4-[1-[4-(dimethylamino)-2-nitrophenyl]ethyl]-N,N-dimethyl-3-nitroaniline.
Chemical Property Profile of 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)
Property Insights of 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)
The XLogP value of 4.1 indicates that 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline). Following Lipinski's Rule of Five, 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) has 0 hydrogen bond donor(s) and 6 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 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)?
The CAS number of 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) is 7478-70-8.
What is the molecular formula of 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)?
The molecular formula of 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) is C18H22N4O4.
What is the molecular weight of 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)?
The molecular weight of 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) is 358.16 g/mol.
Where can I buy 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)?
You can request a quote for 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Ethane-1,1-diyl)bis(N,N-dimethyl-3-nitroaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.