4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)
TL;DR: 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) (CAS 125880-74-2) is a chemical compound with molecular formula C18H20Cl2N4O2 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-carbamimidoyl-2-chlorophenoxy)butoxy]-3-chlorobenzenecarboximidamide
Also Known As: Pentamidine analog, 1,4-Di(4-amidino-2-chlorophenoxy)butane, 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide), 4,4 -[1,4-Butanediylbis(oxy)]bis[3-chlorobenzamidine], 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzenecarboximidamide)
| Molecular Formula | C18H20Cl2N4O2 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.09634 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 125880-74-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=N)N)Cl)OCCCCOC2=C(C=C(C=C2)C(=N)N)Cl |
| InChIKey | QAPOPGUCCNIRKG-UHFFFAOYSA-N |
Product Overview
4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) (CAS 125880-74-2), with molecular formula C18H20Cl2N4O2 and molecular weight 394.10 g/mol. IUPAC: 4-[4-(4-carbamimidoyl-2-chlorophenoxy)butoxy]-3-chlorobenzenecarboximidamide.
Chemical Property Profile of 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)
Property Insights of 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)
The XLogP value of 3.5 indicates that 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide). Following Lipinski's Rule of Five, 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) 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 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)?
The CAS number of 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) is 125880-74-2.
What is the molecular formula of 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)?
The molecular formula of 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) is C18H20Cl2N4O2.
What is the molecular weight of 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)?
The molecular weight of 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) is 394.10 g/mol.
Where can I buy 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide)?
You can request a quote for 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) 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-chlorobenzencarboximidamide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,4-Butanediylbis(oxy))bis(3-chlorobenzencarboximidamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.