甲苯胺蓝
TL;DR: 甲苯胺蓝 (CAS 92-31-9) is a chemical compound with molecular formula C15H16ClN3S and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲苯胺蓝
(7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride
Also Known As: Toluidine Blue, Toluidine Blue O, TOLONIUM CHLORIDE, Blutene chloride, Basic Blue 17
| Molecular Formula | C15H16ClN3S |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | -0.67 |
| Topological Polar Surface Area | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.07535 |
| Heavy Atoms | 20 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 92-31-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-] |
| InChIKey | GEDVVYWLPUPJJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲苯胺蓝 (CAS 92-31-9), with molecular formula C15H16ClN3S and molecular weight 305.08 g/mol. IUPAC: (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium chloride.
Chemical Property Profile of 甲苯胺蓝
Property Insights of 甲苯胺蓝
The XLogP value of -0.67 indicates that 甲苯胺蓝 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲苯胺蓝. Following Lipinski's Rule of Five, 甲苯胺蓝 has 1 hydrogen bond donor(s) and 4 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 甲苯胺蓝?
The CAS number of 甲苯胺蓝 is 92-31-9.
What is the molecular formula of 甲苯胺蓝?
The molecular formula of 甲苯胺蓝 is C15H16ClN3S.
What is the molecular weight of 甲苯胺蓝?
The molecular weight of 甲苯胺蓝 is 305.08 g/mol.
Where can I buy 甲苯胺蓝?
You can request a quote for 甲苯胺蓝 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲苯胺蓝?
Yes, KEHONG BIO provides custom synthesis services for 甲苯胺蓝 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.