Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride
TL;DR: Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride (CAS 83550-88-3) is a chemical compound with molecular formula C19H19ClN4O5 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2-[(1-nitroacridin-9-yl)amino]butanoic acid;hydrochloride
Also Known As: Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride, 3-acetamido-2-[(1-nitroacridin-9-yl)amino]butanoic acid hydrochloride, 3-[(1-Hydroxyethylidene)amino]-2-[(1-nitroacridin-9(10H)-ylidene)amino]butanoic acid--hydrogen chloride (1/1)
| Molecular Formula | C19H19ClN4O5 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.1077 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1044 |
| Heavy Atoms | 29 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 83550-88-3 |
|---|---|
| SMILES | CC(C(C(=O)O)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])NC(=O)C.Cl |
| InChIKey | IYJDKSARPIXYPH-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride (CAS 83550-88-3), with molecular formula C19H19ClN4O5 and molecular weight 418.10 g/mol. IUPAC: 3-acetamido-2-[(1-nitroacridin-9-yl)amino]butanoic acid;hydrochloride.
Chemical Property Profile of Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride
Property Insights of Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride
The XLogP value of 3.1077 indicates that Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride. Following Lipinski's Rule of Five, Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride has 4 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 Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
The CAS number of Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride is 83550-88-3.
What is the molecular formula of Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
The molecular formula of Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride is C19H19ClN4O5.
What is the molecular weight of Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
The molecular weight of Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride is 418.10 g/mol.
Where can I buy Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
You can request a quote for Butanoic acid, 3-(acetylamino)-2-((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 Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-(acetylamino)-2-((1-nitro-9-acridinyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.