甲苯胺红
TL;DR: 甲苯胺红 (CAS 2425-85-6) is a chemical compound with molecular formula C17H13N3O3 and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲苯胺红
1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol
Also Known As: Pigment red 3, Toluidine red, Pigment Scarlet, C.I. Pigment Red 3, Toluidine Toner
| Molecular Formula | C17H13N3O3 |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.0957 |
| Heavy Atoms | 23 |
| Complexity | 451.0 |
| Melting Point | 518 to 272.2 °C |
| Density | 1.37 to 1.50 g/cu cm |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 2425-85-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)[N+](=O)[O-] |
| InChIKey | ZLFVRXUOSPRRKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲苯胺红 (CAS 2425-85-6), with molecular formula C17H13N3O3 and molecular weight 307.10 g/mol. IUPAC: 1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol.
Chemical Property Profile of 甲苯胺红
Property Insights of 甲苯胺红
The XLogP value of 4.8 indicates that 甲苯胺红 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲苯胺红. Following Lipinski's Rule of Five, 甲苯胺红 has 1 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 甲苯胺红?
The CAS number of 甲苯胺红 is 2425-85-6.
What is the molecular formula of 甲苯胺红?
The molecular formula of 甲苯胺红 is C17H13N3O3.
What is the molecular weight of 甲苯胺红?
The molecular weight of 甲苯胺红 is 307.10 g/mol.
Where can I buy 甲苯胺红?
You can request a quote for 甲苯胺红 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲苯胺红?
Yes, KEHONG BIO provides custom synthesis services for 甲苯胺红 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.