Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate
TL;DR: Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate (CAS 6035-94-5) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
Also Known As: Pararosaniline acetate, onoacetate, Pararosaniline, Basic Parafuchsin, Magenta™ O
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 3.89 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 6035-94-5 |
|---|---|
| SMILES | CC(=O)O.C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N |
| InChIKey | YIXIVOYGLPFDCY-UHFFFAOYSA-N |
Product Overview
Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate (CAS 6035-94-5), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: acetic acid;4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline.
Chemical Property Profile of Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate
Property Insights of Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate
The XLogP value of 3.89 indicates that Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate. Following Lipinski's Rule of Five, Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate has 4 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 Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate?
The CAS number of Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate is 6035-94-5.
What is the molecular formula of Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate?
The molecular formula of Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate is C21H21N3O2.
What is the molecular weight of Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate?
The molecular weight of Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate is 347.16 g/mol.
Where can I buy Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate?
You can request a quote for Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate?
Yes, KEHONG BIO provides custom synthesis services for Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.