C.I. Acid Blue 1
TL;DR: C.I. Acid Blue 1 (CAS 10191-30-7) 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.
[4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
Also Known As: C.I. Acid Blue 1, [4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium, bis[4-(diethylamino)phenyl](2,4-disulfophenyl)methylium, N-[4-[[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium, 4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-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 | 10191-30-7 |
|---|---|
| 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 |
| InChIKey | IKHKJYWPWWBSFZ-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Acid Blue 1 (CAS 10191-30-7), with molecular formula C27H33N2O6S2+ and molecular weight 545.18 g/mol. IUPAC: [4-[[4-(diethylamino)phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium.
Chemical Property Profile of C.I. Acid Blue 1
Property Insights of C.I. Acid Blue 1
The XLogP value of 3.6 indicates that C.I. Acid Blue 1 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 C.I. Acid Blue 1. Following Lipinski's Rule of Five, C.I. Acid Blue 1 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 C.I. Acid Blue 1?
The CAS number of C.I. Acid Blue 1 is 10191-30-7.
What is the molecular formula of C.I. Acid Blue 1?
The molecular formula of C.I. Acid Blue 1 is C27H33N2O6S2+.
What is the molecular weight of C.I. Acid Blue 1?
The molecular weight of C.I. Acid Blue 1 is 545.18 g/mol.
Where can I buy C.I. Acid Blue 1?
You can request a quote for C.I. Acid Blue 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Acid Blue 1?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Blue 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.