4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)
TL;DR: 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) (CAS 129459-15-0) is a chemical compound with molecular formula C16H16N6O6 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-carbamimidoyl-2-nitrophenoxy)ethoxy]-3-nitrobenzenecarboximidamide
Also Known As: Pentamidine analog, 1,2-Di(4-amidino-2-nitrophenoxy)ethane, 1,2-Bis(4-amidino-2-nitrophenoxy)ethane, 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide), 4,4 -[1,2-Ethanediylbis(oxy)]bis(3-nitrobenzamidine)
| Molecular Formula | C16H16N6O6 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.11313 |
| Heavy Atoms | 28 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 129459-15-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-] |
| InChIKey | LGKFWVGFLCHPLF-UHFFFAOYSA-N |
Product Overview
4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) (CAS 129459-15-0), with molecular formula C16H16N6O6 and molecular weight 388.11 g/mol. IUPAC: 4-[2-(4-carbamimidoyl-2-nitrophenoxy)ethoxy]-3-nitrobenzenecarboximidamide.
Chemical Property Profile of 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)
Property Insights of 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide). The TPSA of 210.0 Ų indicates high polarity, suggesting 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) has 4 hydrogen bond donor(s) and 8 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'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)?
The CAS number of 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) is 129459-15-0.
What is the molecular formula of 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)?
The molecular formula of 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) is C16H16N6O6.
What is the molecular weight of 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)?
The molecular weight of 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) is 388.11 g/mol.
Where can I buy 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)?
You can request a quote for 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,2-Ethanediylbis(oxy))bis(3-nitro-benzenecarboximidamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.