4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)
TL;DR: 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) (CAS 125880-83-3) is a chemical compound with molecular formula C17H20N8O4 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-carbamimidoyl-2-nitroanilino)propylamino]-3-nitrobenzenecarboximidamide
Also Known As: Pentamidine analog, 1,3-Di(4-amidino-2-nitrophenylamino)propane, 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide), 4-[3-(4-carbamimidoyl-2-nitroanilino)propylamino]-3-nitrobenzenecarboximidamide, 4,4 -[1,3-Propanediylbis(imino)]bis[3-nitrobenzamidine]
| Molecular Formula | C17H20N8O4 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.16074 |
| Heavy Atoms | 29 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 125880-83-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)[N+](=O)[O-])NCCCNC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-] |
| InChIKey | ZMDDUDRQHBLMAP-UHFFFAOYSA-N |
Product Overview
4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) (CAS 125880-83-3), with molecular formula C17H20N8O4 and molecular weight 400.16 g/mol. IUPAC: 4-[3-(4-carbamimidoyl-2-nitroanilino)propylamino]-3-nitrobenzenecarboximidamide.
Chemical Property Profile of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)
Property Insights of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide). The TPSA of 215.0 Ų indicates high polarity, suggesting 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)?
The CAS number of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) is 125880-83-3.
What is the molecular formula of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)?
The molecular formula of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) is C17H20N8O4.
What is the molecular weight of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)?
The molecular weight of 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) is 400.16 g/mol.
Where can I buy 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)?
You can request a quote for 4,4'-(1,3-Propanediyldiimino)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'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,3-Propanediyldiimino)bis-(3-nitrobenzenecarboximidamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.