1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride
TL;DR: 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride (CAS 77280-91-2) is a chemical compound with molecular formula C22H30Cl2N4O2 and molecular weight 452.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine;dihydrochloride
Also Known As: 1-Nitro-9-(3-hexylaminopropylamino)acridine dihydrochloride, 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride, 9-((3-(Hexylamino)propyl)amino)-1-nitroacridine dihydrochloride, Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochloride, N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine dihydrochloride
| Molecular Formula | C22H30Cl2N4O2 |
|---|---|
| Molecular Weight | 452.17 g/mol |
| LogP | 6.1117 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 452.1746 |
| Heavy Atoms | 30 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 77280-91-2 |
|---|---|
| SMILES | CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl |
| InChIKey | JEWVXBXBNITZRB-UHFFFAOYSA-N |
Product Overview
1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride (CAS 77280-91-2), with molecular formula C22H30Cl2N4O2 and molecular weight 452.17 g/mol. IUPAC: N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine;dihydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride
Property Insights of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride
The XLogP value of 6.1117 indicates that 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride. Following Lipinski's Rule of Five, 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride?
The CAS number of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride is 77280-91-2.
What is the molecular formula of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride?
The molecular formula of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride is C22H30Cl2N4O2.
What is the molecular weight of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride?
The molecular weight of 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride is 452.17 g/mol.
Where can I buy 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride?
You can request a quote for 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.