4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)
TL;DR: 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide) (CAS 125880-86-6) is a chemical compound with molecular formula C18H26N8 and molecular weight 354.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[4-(2-amino-4-carbamimidoylanilino)butylamino]benzenecarboximidamide
Also Known As: Pentamidine analog, 1,4-Di(4-amidino-2-aminophenylamino)butane, 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide), 3-amino-4-[4-(2-amino-4-carbamimidoylanilino)butylamino]benzenecarboximidamide, 4,4 -[1,4-Butanediylbis(imino)]bis[3-aminobenzamidine]
| Molecular Formula | C18H26N8 |
|---|---|
| Molecular Weight | 354.23 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.22806 |
| Heavy Atoms | 26 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 125880-86-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)N)NCCCCNC2=C(C=C(C=C2)C(=N)N)N |
| InChIKey | UXVWYINPGXCLNB-UHFFFAOYSA-N |
Product Overview
4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide) (CAS 125880-86-6), with molecular formula C18H26N8 and molecular weight 354.23 g/mol. IUPAC: 3-amino-4-[4-(2-amino-4-carbamimidoylanilino)butylamino]benzenecarboximidamide.
Chemical Property Profile of 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)
Property Insights of 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide). The TPSA of 176.0 Ų indicates high polarity, suggesting 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(1,4-Butanediyldiimino)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'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)?
The CAS number of 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide) is 125880-86-6.
What is the molecular formula of 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)?
The molecular formula of 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide) is C18H26N8.
What is the molecular weight of 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)?
The molecular weight of 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide) is 354.23 g/mol.
Where can I buy 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)?
You can request a quote for 4,4'-(1,4-Butanediyldiimino)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'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,4-Butanediyldiimino)bis-(3-aminobenzenecarboximidamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.