4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)
TL;DR: 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) (CAS 125880-76-4) is a chemical compound with molecular formula C18H20N6O6 and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-carbamimidoyl-2-nitrophenoxy)butoxy]-3-nitrobenzenecarboximidamide
Also Known As: Pentamidine analog, 1,4-Di(4-amidino-2-nitrophenoxy)butane, 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide), 4-[4-(4-carbamimidoyl-2-nitrophenoxy)butoxy]-3-nitrobenzenecarboximidamide, 4,4 -[1,4-Butanediylbis(oxy)]bis[3-nitrobenzamidine]
| Molecular Formula | C18H20N6O6 |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.14444 |
| Heavy Atoms | 30 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 125880-76-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])OCCCCOC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-] |
| InChIKey | OBQWWXNDQGRMTM-UHFFFAOYSA-N |
Product Overview
4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) (CAS 125880-76-4), with molecular formula C18H20N6O6 and molecular weight 416.14 g/mol. IUPAC: 4-[4-(4-carbamimidoyl-2-nitrophenoxy)butoxy]-3-nitrobenzenecarboximidamide.
Chemical Property Profile of 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)
Property Insights of 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide). The TPSA of 210.0 Ų indicates high polarity, suggesting 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) 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'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)?
The CAS number of 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) is 125880-76-4.
What is the molecular formula of 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)?
The molecular formula of 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) is C18H20N6O6.
What is the molecular weight of 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)?
The molecular weight of 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) is 416.14 g/mol.
Where can I buy 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)?
You can request a quote for 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,4-Butanediylbis(oxy))bis(3-nitrobenzenecarboximidamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.