CCRIS 3394
TL;DR: CCRIS 3394 (CAS 107210-39-9) is a chemical compound with molecular formula C26H33N5O6 and molecular weight 511.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-acetyloxyethyl-[9-[3-(dimethylamino)propylamino]-1-nitroacridin-4-yl]amino]ethyl acetate
Also Known As: 4-Bis(2-acetoxyethyl)aminonitracrine, 2,2'-((9-((3-(Dimethylamino)propyl)amino)-1-nitro-4-acridinyl)imino)bisethanol diacetate, Ethanol, 2,2'-((9-((3-(dimethylamino)propyl)amino)-1-nitro-4-acridinyl)imino)bis-, diacetate (ester), 2,2'-((9-((3-(Dimethylamino)propyl)amino)-1-nitro-4-acridinyl)imino)bisethanol, diacetate (ester), [(9-{[3-(Dimethylamino)propyl]amino}-1-nitroacridin-4-yl)azanediyl]di(ethane-2,1-diyl) diacetate
| Molecular Formula | C26H33N5O6 |
|---|---|
| Molecular Weight | 511.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 511.24307 |
| Heavy Atoms | 37 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 107210-39-9 |
|---|---|
| SMILES | CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NCCCN(C)C)[N+](=O)[O-] |
| InChIKey | KBGYNIMZFLTVQC-UHFFFAOYSA-N |
Product Overview
CCRIS 3394 (CAS 107210-39-9), with molecular formula C26H33N5O6 and molecular weight 511.24 g/mol. IUPAC: 2-[2-acetyloxyethyl-[9-[3-(dimethylamino)propylamino]-1-nitroacridin-4-yl]amino]ethyl acetate.
Chemical Property Profile of CCRIS 3394
Property Insights of CCRIS 3394
The XLogP value of 3.6 indicates that CCRIS 3394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 3394. Following Lipinski's Rule of Five, CCRIS 3394 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CCRIS 3394?
The CAS number of CCRIS 3394 is 107210-39-9.
What is the molecular formula of CCRIS 3394?
The molecular formula of CCRIS 3394 is C26H33N5O6.
What is the molecular weight of CCRIS 3394?
The molecular weight of CCRIS 3394 is 511.24 g/mol.
Where can I buy CCRIS 3394?
You can request a quote for CCRIS 3394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 3394?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 3394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.