异磺胺蓝
TL;DR: 异磺胺蓝 (CAS 748080-29-7) is a chemical compound with molecular formula C27H33N2O6S2+ and molecular weight 545.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异磺胺蓝
[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
| Molecular Formula | C27H33N2O6S2+ |
|---|---|
| Molecular Weight | 545.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.178 |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 748080-29-7 |
|---|---|
| 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 Overview
异磺胺蓝 (CAS 748080-29-7), with molecular formula C27H33N2O6S2+ and molecular weight 545.18 g/mol. IUPAC: [4-[[4-(diethylamino)phenyl]-(2,5-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium.
Chemical Property Profile of 异磺胺蓝
Property Insights of 异磺胺蓝
The XLogP value of 3.6 indicates that 异磺胺蓝 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 异磺胺蓝. Following Lipinski's Rule of Five, 异磺胺蓝 has 2 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 异磺胺蓝?
The CAS number of 异磺胺蓝 is 748080-29-7.
What is the molecular formula of 异磺胺蓝?
The molecular formula of 异磺胺蓝 is C27H33N2O6S2+.
What is the molecular weight of 异磺胺蓝?
The molecular weight of 异磺胺蓝 is 545.18 g/mol.
Where can I buy 异磺胺蓝?
You can request a quote for 异磺胺蓝 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异磺胺蓝?
Yes, KEHONG BIO provides custom synthesis services for 异磺胺蓝 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.