NSC 2461
TL;DR: NSC 2461 (CAS 5393-97-5) is a chemical compound with molecular formula C20H30Cl3N3 and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)azaniumyl]propyl-diethylazanium dichloride
Also Known As: Acridine, 1,2,3,4-tetrahydro-7-chloro-9-(3-(diethylamino)propylamino)-, dihydrochloride, 1,3-Propanediamine, N'-(7-chloro-1,2,3,4-tetrahydro-9-acridinyl)-N,N-diethyl-, dihydrochloride, 7-Chloro-9-(3-(diethylamino)propylamino)-1,2,3,4-tetrahydroacridine dihydrochloride, 3-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)azaniumyl]propyl-diethylazanium dichloride, 1,3-Propanediamine, N'-(7-chloro-1,2,3,4-tetrahydro-9-acridinyl)-N,N-diethyl-, dihydrochloride (9CI)
| Molecular Formula | C20H30Cl3N3 |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | -3.72 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.15054 |
| Heavy Atoms | 26 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 5393-97-5 |
|---|---|
| SMILES | CC[NH+](CC)CCC[NH2+]C1=C2CCCCC2=NC3=C1C=C(C=C3)Cl.[Cl-].[Cl-] |
| InChIKey | VYDJRAHQPKXMDP-UHFFFAOYSA-N |
Product Overview
NSC 2461 (CAS 5393-97-5), with molecular formula C20H30Cl3N3 and molecular weight 417.15 g/mol. IUPAC: 3-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)azaniumyl]propyl-diethylazanium dichloride.
Chemical Property Profile of NSC 2461
Property Insights of NSC 2461
The XLogP value of -3.72 indicates that NSC 2461 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.9 Ų, NSC 2461 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NSC 2461 has 2 hydrogen bond donor(s) and 3 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 NSC 2461?
The CAS number of NSC 2461 is 5393-97-5.
What is the molecular formula of NSC 2461?
The molecular formula of NSC 2461 is C20H30Cl3N3.
What is the molecular weight of NSC 2461?
The molecular weight of NSC 2461 is 417.15 g/mol.
Where can I buy NSC 2461?
You can request a quote for NSC 2461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 2461?
Yes, KEHONG BIO provides custom synthesis services for NSC 2461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.