CCRIS 3395
TL;DR: CCRIS 3395 (CAS 116374-64-2) is a chemical compound with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-[3-(dimethylamino)propylamino]-1-nitroacridine-4-carboxylate
Also Known As: 9-((3-(Dimethylamino)propyl)amino)-1-nitro-4-acridinecarboxylic acid methyl ester, 4-Acridinecarboxylic acid, 9-((3-(dimethylamino)propyl)amino)-1-nitro-, methyl ester, methyl 9-[3-(dimethylamino)propylamino]-1-nitroacridine-4-carboxylate, Methyl 9-((3-(dimethylamino)propyl)amino)-1-nitro-4-acridinecarboxylate, methyl 9-[3-(dimethylamino)propylamino]-1-nitroacridine-4-ca
| Molecular Formula | C20H22N4O4 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1641 |
| Heavy Atoms | 28 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 116374-64-2 |
|---|---|
| SMILES | CN(C)CCCNC1=C2C(=CC=C(C2=NC3=CC=CC=C31)C(=O)OC)[N+](=O)[O-] |
| InChIKey | LJNIDEWFUGGGMV-UHFFFAOYSA-N |
Product Overview
CCRIS 3395 (CAS 116374-64-2), with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol. IUPAC: methyl 9-[3-(dimethylamino)propylamino]-1-nitroacridine-4-carboxylate.
Chemical Property Profile of CCRIS 3395
Property Insights of CCRIS 3395
The XLogP value of 3.6 indicates that CCRIS 3395 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 3395. Following Lipinski's Rule of Five, CCRIS 3395 has 1 hydrogen bond donor(s) and 7 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 CCRIS 3395?
The CAS number of CCRIS 3395 is 116374-64-2.
What is the molecular formula of CCRIS 3395?
The molecular formula of CCRIS 3395 is C20H22N4O4.
What is the molecular weight of CCRIS 3395?
The molecular weight of CCRIS 3395 is 382.16 g/mol.
Where can I buy CCRIS 3395?
You can request a quote for CCRIS 3395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 3395?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 3395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.