C.I. Direct Red 2
TL;DR: C.I. Direct Red 2 (CAS 992-59-6) is a chemical compound with molecular formula C34H26N6Na2O6S2 and molecular weight 724.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate
Also Known As: Benzopurpurine 4B, Benzopurpurin 4B, C.I. Direct Red 2, DIRECT RED 2, Amanil purpurine
| Molecular Formula | C34H26N6Na2O6S2 |
|---|---|
| Molecular Weight | 724.12 g/mol |
| LogP | 2.09 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 724.11505 |
| Heavy Atoms | 50 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 992-59-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | SUXCALIDMIIJCK-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Direct Red 2 (CAS 992-59-6), with molecular formula C34H26N6Na2O6S2 and molecular weight 724.12 g/mol. IUPAC: disodium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate.
Chemical Property Profile of C.I. Direct Red 2
Property Insights of C.I. Direct Red 2
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Red 2. The TPSA of 233.0 Ų indicates high polarity, suggesting C.I. Direct Red 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Red 2 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Direct Red 2?
The CAS number of C.I. Direct Red 2 is 992-59-6.
What is the molecular formula of C.I. Direct Red 2?
The molecular formula of C.I. Direct Red 2 is C34H26N6Na2O6S2.
What is the molecular weight of C.I. Direct Red 2?
The molecular weight of C.I. Direct Red 2 is 724.12 g/mol.
Where can I buy C.I. Direct Red 2?
You can request a quote for C.I. Direct Red 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Red 2?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Red 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.