Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-
TL;DR: Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- (CAS 61947-34-0) is a chemical compound with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
Also Known As: Pentamidine analog, 1,4-Di(3-amidinophenoxy)butane, Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-, 3-[4-(3-carbamimidoylphenoxy)butoxy]benzamidine, 3,3 -[1,4-Butanediylbis(oxy)]bis[benzamidine]
| Molecular Formula | C18H22N4O2 |
|---|---|
| Molecular Weight | 326.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.1743 |
| Heavy Atoms | 24 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 61947-34-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCCOC2=CC=CC(=C2)C(=N)N)C(=N)N |
| InChIKey | NQRUGGAQLZEIKK-UHFFFAOYSA-N |
Product Overview
Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- (CAS 61947-34-0), with molecular formula C18H22N4O2 and molecular weight 326.17 g/mol. IUPAC: 3-[4-(3-carbamimidoylphenoxy)butoxy]benzenecarboximidamide.
Chemical Property Profile of Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-
Property Insights of Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-. Following Lipinski's Rule of Five, Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- has 4 hydrogen bond donor(s) and 4 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 Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-?
The CAS number of Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- is 61947-34-0.
What is the molecular formula of Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-?
The molecular formula of Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- is C18H22N4O2.
What is the molecular weight of Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-?
The molecular weight of Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- is 326.17 g/mol.
Where can I buy Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-?
You can request a quote for Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidamide, 3,3'-(1,4-butanediylbis(oxy))bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.