4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride
TL;DR: 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride (CAS 64895-12-1) is a chemical compound with molecular formula C23H21ClN2O3 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(acridin-9-ylamino)-3-methoxyphenyl]propanoic acid;hydrochloride
Also Known As: 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride, Benzenepropanoic acid, 4-(9-acridinylamino)-3-methoxy-, monohydrochloride, 3-[4-(acridin-9-ylamino)-3-methoxyphenyl]propanoic acid hydrochloride, 3-{4-[(Acridin-9(10H)-ylidene)amino]-3-methoxyphenyl}propanoic acid--hydrogen chloride (1/1)
| Molecular Formula | C23H21ClN2O3 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 5.5792 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.12408 |
| Heavy Atoms | 29 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 64895-12-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CCC(=O)O)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl |
| InChIKey | TZMOJABZHBNQDK-UHFFFAOYSA-N |
Product Overview
4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride (CAS 64895-12-1), with molecular formula C23H21ClN2O3 and molecular weight 408.12 g/mol. IUPAC: 3-[4-(acridin-9-ylamino)-3-methoxyphenyl]propanoic acid;hydrochloride.
Chemical Property Profile of 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride
Property Insights of 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride
The XLogP value of 5.5792 indicates that 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride. Following Lipinski's Rule of Five, 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride has 3 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 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride?
The CAS number of 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride is 64895-12-1.
What is the molecular formula of 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride?
The molecular formula of 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride is C23H21ClN2O3.
What is the molecular weight of 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride?
The molecular weight of 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride is 408.12 g/mol.
Where can I buy 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride?
You can request a quote for 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(9-Acridinylamino)-3-methoxybenzenepropanoic acid monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.