C 684
TL;DR: C 684 (CAS 20064-00-0) is a chemical compound with molecular formula C18H22Cl2N4O3 and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-[(1-nitro-10-oxidoacridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride
Also Known As: Nitracrine N-oxide, duplicate RN for di-HCl, C-684, C 684, ACRIDINE, 9-((3-(DIMETHYLAMINO)PROPYL)AMINO)-1-NITRO-, N-OXIDE, DIHYDROCHLORIDE
| Molecular Formula | C18H22Cl2N4O3 |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | -5.73 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1069 |
| Heavy Atoms | 27 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 20064-00-0 |
|---|---|
| SMILES | C[NH+](C)CCC[NH2+]C1=C2C(=[N+](C3=CC=CC=C31)[O-])C=CC=C2[N+](=O)[O-].[Cl-].[Cl-] |
| InChIKey | CPKSCBUZCWCNRA-UHFFFAOYSA-N |
Product Overview
C 684 (CAS 20064-00-0), with molecular formula C18H22Cl2N4O3 and molecular weight 412.11 g/mol. IUPAC: dimethyl-[3-[(1-nitro-10-oxidoacridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride.
Chemical Property Profile of C 684
Property Insights of C 684
The XLogP value of -5.73 indicates that C 684 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C 684. Following Lipinski's Rule of Five, C 684 has 2 hydrogen bond donor(s) and 5 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 C 684?
The CAS number of C 684 is 20064-00-0.
What is the molecular formula of C 684?
The molecular formula of C 684 is C18H22Cl2N4O3.
What is the molecular weight of C 684?
The molecular weight of C 684 is 412.11 g/mol.
Where can I buy C 684?
You can request a quote for C 684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C 684?
Yes, KEHONG BIO provides custom synthesis services for C 684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.