Sulfan Blue
TL;DR: Sulfan Blue (CAS 129-17-9) is a chemical compound with molecular formula C27H31N2NaO6S2 and molecular weight 566.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
Also Known As: Patent Blue VF, Sulfan Blue, Acid blue 1, Patent blue violet, Patent Blue
| Molecular Formula | C27H31N2NaO6S2 |
|---|---|
| Molecular Weight | 566.15 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.1521 |
| Heavy Atoms | 38 |
| Complexity | 1040.0 |
| Solubility | Soluble (>=10 mg/ml at 70 °F) (NTP, 1992) |
Chemical Identifiers
| CAS Number | 129-17-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+] |
| InChIKey | SJEYSFABYSGQBG-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfan Blue (CAS 129-17-9), with molecular formula C27H31N2NaO6S2 and molecular weight 566.15 g/mol. IUPAC: sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate.
Chemical Property Profile of Sulfan Blue
Property Insights of Sulfan Blue
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfan Blue. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfan Blue. Following Lipinski's Rule of Five, Sulfan Blue has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfan Blue?
The CAS number of Sulfan Blue is 129-17-9.
What is the molecular formula of Sulfan Blue?
The molecular formula of Sulfan Blue is C27H31N2NaO6S2.
What is the molecular weight of Sulfan Blue?
The molecular weight of Sulfan Blue is 566.15 g/mol.
Where can I buy Sulfan Blue?
You can request a quote for Sulfan Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfan Blue?
Yes, KEHONG BIO provides custom synthesis services for Sulfan Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.