1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride
TL;DR: 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride (CAS 80704-89-8) is a chemical compound with molecular formula C17H18ClN3O3 and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-nitroacridin-9-yl)amino]butan-1-ol;hydrochloride
Also Known As: 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride, 4-[(1-nitroacridin-9-yl)amino]butan-1-ol hydrochloride, 4-[(1-nitroacridin-9-yl)amino]butan-1-ol,hydrochloride, 4-[(1-Nitroacridin-9-yl)amino]butan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C17H18ClN3O3 |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 3.9024 |
| Topological Polar Surface Area | 91.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.10367 |
| Heavy Atoms | 24 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 80704-89-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCO.Cl |
| InChIKey | WFKPKIUDGWXNQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride (CAS 80704-89-8), with molecular formula C17H18ClN3O3 and molecular weight 347.10 g/mol. IUPAC: 4-[(1-nitroacridin-9-yl)amino]butan-1-ol;hydrochloride.
Chemical Property Profile of 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride
Property Insights of 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride
The XLogP value of 3.9024 indicates that 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride. Following Lipinski's Rule of Five, 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride has 3 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 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
The CAS number of 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride is 80704-89-8.
What is the molecular formula of 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
The molecular formula of 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride is C17H18ClN3O3.
What is the molecular weight of 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
The molecular weight of 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride is 347.10 g/mol.
Where can I buy 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
You can request a quote for 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 4-((1-nitro-9-acridinyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.