Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride
TL;DR: Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride (CAS 64894-91-3) is a chemical compound with molecular formula C22H18ClN3O3 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-acetamidoacridin-9-yl)amino]benzoic acid;hydrochloride
Also Known As: Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride, 4-((3-(Acetylamino)-9-acridinyl)amino)benzoic acid monohydrochloride, 4-[(3-acetamidoacridin-9-yl)amino]benzoic acid hydrochloride, 4-[(3-Acetamidoacridin-9-yl)amino]benzoic acid--hydrogen chloride (1/1)
| Molecular Formula | C22H18ClN3O3 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 5.21 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.10367 |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 64894-91-3 |
|---|---|
| SMILES | CC(=O)NC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)C(=O)O.Cl |
| InChIKey | WYSPIKZUXGTWMW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride (CAS 64894-91-3), with molecular formula C22H18ClN3O3 and molecular weight 407.10 g/mol. IUPAC: 4-[(3-acetamidoacridin-9-yl)amino]benzoic acid;hydrochloride.
Chemical Property Profile of Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride
Property Insights of Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride
The XLogP value of 5.21 indicates that Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride 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 Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride?
The CAS number of Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride is 64894-91-3.
What is the molecular formula of Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride?
The molecular formula of Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride is C22H18ClN3O3.
What is the molecular weight of Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride?
The molecular weight of Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride is 407.10 g/mol.
Where can I buy Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride?
You can request a quote for Benzoic acid, 4-((3-(acetylamino)-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 Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((3-(acetylamino)-9-acridinyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.