Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride
TL;DR: Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride (CAS 64895-03-0) is a chemical compound with molecular formula C22H19ClN2O2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(acridin-9-ylamino)phenyl]propanoic acid;hydrochloride
Also Known As: 3-(9-Acridinylamino)benzenepropanoic acid monohydrochloride, Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride, 3-[3-(acridin-9-ylamino)phenyl]propanoic acid hydrochloride, 3-{3-[(Acridin-9-yl)amino]phenyl}propanoic acid--hydrogen chloride (1/1)
| Molecular Formula | C22H19ClN2O2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 5.5706 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1135 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 64895-03-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC(=C4)CCC(=O)O.Cl |
| InChIKey | VECSQRDBJIGAQF-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride (CAS 64895-03-0), with molecular formula C22H19ClN2O2 and molecular weight 378.11 g/mol. IUPAC: 3-[3-(acridin-9-ylamino)phenyl]propanoic acid;hydrochloride.
Chemical Property Profile of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride
Property Insights of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride
The XLogP value of 5.5706 indicates that Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride?
The CAS number of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride is 64895-03-0.
What is the molecular formula of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride?
The molecular formula of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride is C22H19ClN2O2.
What is the molecular weight of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride?
The molecular weight of Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride is 378.11 g/mol.
Where can I buy Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride?
You can request a quote for Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3-(9-acridinylamino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.