C.I. Acid Blue 1
TL;DR: C.I. Acid Blue 1 (CAS 116-95-0) is a chemical compound with molecular formula C27H32N2O6S2 and molecular weight 544.17017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate
Also Known As: C.I. Acid Blue 1, Acid blue 1, Sodium3-Cyanopropane-1-sulfonate, HY-D0293, 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H32N2O6S2 |
| Molecular Weight | 544.17017 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.17017 Da |
| Heavy Atoms | 37 |
| Complexity | 1050.0 |
| 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-N |
Chemical Property Profile of C.I. Acid Blue 1
Property Insights of C.I. Acid Blue 1
The XLogP value of 3.5 indicates that C.I. Acid Blue 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 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 1 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 C.I. Acid Blue 1?
The CAS number of C.I. Acid Blue 1 is 116-95-0.
What is the molecular formula of C.I. Acid Blue 1?
The molecular formula of C.I. Acid Blue 1 is C27H32N2O6S2.
What is the molecular weight of C.I. Acid Blue 1?
The molecular weight of C.I. Acid Blue 1 is 544.17017 g/mol.
Where can I buy C.I. Acid Blue 1?
You can request a quote for C.I. Acid Blue 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C.I. Acid Blue 1?
Yes, CoreyChem provides custom synthesis services for C.I. Acid Blue 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.