C 516
TL;DR: C 516 (CAS 17074-42-9) is a chemical compound with molecular formula C19H24Cl2N4O2 and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(1-nitroacridin-9-yl)azaniumyl]ethyl]azanium dichloride
Also Known As: C-516, C 516, 1-Nitro-9-(diethylaminoethylamine)-acridine dihydrochloride, 1-Nitro-9-(diethylaminoethylamino)-acridine-2 hydrochloride, ACRIDINE, 9-((2-(DIETHYLAMINO)ETHYL)AMINO)-1-NITRO-, DIHYDROCHLORIDE
| Molecular Formula | C19H24Cl2N4O2 |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | -4.58 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.12762 |
| Heavy Atoms | 27 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 17074-42-9 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH2+]C1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].[Cl-].[Cl-] |
| InChIKey | SITOYHMQEWFWHJ-UHFFFAOYSA-N |
Product Overview
C 516 (CAS 17074-42-9), with molecular formula C19H24Cl2N4O2 and molecular weight 410.13 g/mol. IUPAC: diethyl-[2-[(1-nitroacridin-9-yl)azaniumyl]ethyl]azanium dichloride.
Chemical Property Profile of C 516
Property Insights of C 516
The XLogP value of -4.58 indicates that C 516 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C 516. Following Lipinski's Rule of Five, C 516 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 516?
The CAS number of C 516 is 17074-42-9.
What is the molecular formula of C 516?
The molecular formula of C 516 is C19H24Cl2N4O2.
What is the molecular weight of C 516?
The molecular weight of C 516 is 410.13 g/mol.
Where can I buy C 516?
You can request a quote for C 516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C 516?
Yes, KEHONG BIO provides custom synthesis services for C 516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.