Basic Blue 99
TL;DR: Basic Blue 99 (CAS 68123-13-7) is a chemical compound with molecular formula C19H20BrClN4O2 and molecular weight 450.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium chloride
Also Known As: Basic blue 99, Jarocol Steel Blue, C.I. Basic Blue 99, Basic Blue 3, Arianor Steel Blue
| Molecular Formula | C19H20BrClN4O2 |
|---|---|
| Molecular Weight | 450.05 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.0458 |
| Heavy Atoms | 27 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 68123-13-7 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC(=C1)N=C2C=C(C3=C(C2=O)C(=CC(=C3O)Br)N)N.[Cl-] |
| InChIKey | RFQSMLBZXQOMKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Basic Blue 99 (CAS 68123-13-7), with molecular formula C19H20BrClN4O2 and molecular weight 450.05 g/mol. IUPAC: [3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium chloride.
Chemical Property Profile of Basic Blue 99
Property Insights of Basic Blue 99
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Basic Blue 99. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Basic Blue 99. Following Lipinski's Rule of Five, Basic Blue 99 has 3 hydrogen bond donor(s) and 6 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 Basic Blue 99?
The CAS number of Basic Blue 99 is 68123-13-7.
What is the molecular formula of Basic Blue 99?
The molecular formula of Basic Blue 99 is C19H20BrClN4O2.
What is the molecular weight of Basic Blue 99?
The molecular weight of Basic Blue 99 is 450.05 g/mol.
Where can I buy Basic Blue 99?
You can request a quote for Basic Blue 99 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Blue 99?
Yes, KEHONG BIO provides custom synthesis services for Basic Blue 99 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.