ISOSULFAN BLUE
TL;DR: ISOSULFAN BLUE (CAS 748080-29-7) is a chemical compound with molecular formula C27H33N2O6S2+ and molecular weight 545.178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[[4-(diethylamino)phenyl]-(2,5-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Also Known As: ISOSULFAN BLUE, Isosulfan blue inner salt, [4-[[4-(diethylamino)phenyl]-(2,5-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium, 4-{[4-(Diethylamino)phenyl](2,5-disulfophenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium
Technical Specifications
| Molecular Formula | C27H33N2O6S2+ |
| Molecular Weight | 545.178 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.178 Da |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | YFKDCGWIINMRQY-UHFFFAOYSA-O |
Product Description
Applications: ISOSULFAN BLUE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies ISOSULFAN BLUE (CAS 748080-29-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, ISOSULFAN BLUE (CAS 748080-29-7) has the molecular formula C27H33N2O6S2+ and a molecular weight of 545.18 g/mol. It is also known as ISOSULFAN BLUE and Isosulfan blue inner salt.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of ISOSULFAN BLUE
Property Insights of ISOSULFAN BLUE
The XLogP value of 3.6 indicates that ISOSULFAN BLUE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ISOSULFAN BLUE. Following Lipinski's Rule of Five, ISOSULFAN BLUE has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ISOSULFAN BLUE?
The CAS number of ISOSULFAN BLUE is 748080-29-7.
What is the molecular formula of ISOSULFAN BLUE?
The molecular formula of ISOSULFAN BLUE is C27H33N2O6S2+.
What is the molecular weight of ISOSULFAN BLUE?
The molecular weight of ISOSULFAN BLUE is 545.178 g/mol.
What are the applications of ISOSULFAN BLUE?
ISOSULFAN BLUE is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies ISOSULFAN BLUE (CAS 748080-29-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy ISOSULFAN BLUE?
You can request a quote for ISOSULFAN BLUE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ISOSULFAN BLUE?
Yes, CoreyChem provides custom synthesis services for ISOSULFAN BLUE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.