4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)
TL;DR: 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) (CAS 125880-89-9) is a chemical compound with molecular formula C16H22N8 and molecular weight 326.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[2-(2-amino-4-carbamimidoylanilino)ethylamino]benzenecarboximidamide
Also Known As: Pentamidine analog, 1,2-Di(4-amidino-2-aminophenylamino)ethane, 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide), 4,4 -[1,2-Ethanediylbis(imino)]bis[3-aminobenzamidine], 3-amino-4-[2-(2-amino-4-carbamimidoyl-anilino)ethylamino]benzamidine
| Molecular Formula | C16H22N8 |
|---|---|
| Molecular Weight | 326.20 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.19675 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 125880-89-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)N)NCCNC2=C(C=C(C=C2)C(=N)N)N |
| InChIKey | LQPHSHHYSWTSII-UHFFFAOYSA-N |
Product Overview
4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) (CAS 125880-89-9), with molecular formula C16H22N8 and molecular weight 326.20 g/mol. IUPAC: 3-amino-4-[2-(2-amino-4-carbamimidoylanilino)ethylamino]benzenecarboximidamide.
Chemical Property Profile of 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)
Property Insights of 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide). The TPSA of 176.0 Ų indicates high polarity, suggesting 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) has 8 hydrogen bond donor(s) and 6 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'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)?
The CAS number of 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) is 125880-89-9.
What is the molecular formula of 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)?
The molecular formula of 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) is C16H22N8.
What is the molecular weight of 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)?
The molecular weight of 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) is 326.20 g/mol.
Where can I buy 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)?
You can request a quote for 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) 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-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,2-Ethanediyldiimino)bis(3-aminobenzenecarboximidamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.