Pararosaniline Hydrochloride
TL;DR: Pararosaniline Hydrochloride (CAS 569-61-9) is a chemical compound with molecular formula C19H18ClN3 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
Also Known As: Pararosaniline hydrochloride, Basic Red 9, Parafuchsin, Basic fuchsin, Parafuchsine
| Molecular Formula | C19H18ClN3 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 4.22 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.11893 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
| Melting Point | 514 to 270.0 °C (decomposes) |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 569-61-9 |
|---|---|
| SMILES | C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl |
| InChIKey | JUQPZRLQQYSMEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pararosaniline Hydrochloride (CAS 569-61-9), with molecular formula C19H18ClN3 and molecular weight 323.12 g/mol. IUPAC: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride.
Chemical Property Profile of Pararosaniline Hydrochloride
Property Insights of Pararosaniline Hydrochloride
The XLogP value of 4.22 indicates that Pararosaniline Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pararosaniline Hydrochloride. Following Lipinski's Rule of Five, Pararosaniline Hydrochloride has 4 hydrogen bond donor(s) and 3 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 Pararosaniline Hydrochloride?
The CAS number of Pararosaniline Hydrochloride is 569-61-9.
What is the molecular formula of Pararosaniline Hydrochloride?
The molecular formula of Pararosaniline Hydrochloride is C19H18ClN3.
What is the molecular weight of Pararosaniline Hydrochloride?
The molecular weight of Pararosaniline Hydrochloride is 323.12 g/mol.
Where can I buy Pararosaniline Hydrochloride?
You can request a quote for Pararosaniline Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pararosaniline Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pararosaniline Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.