C.I. Acid Blue 40
TL;DR: C.I. Acid Blue 40 (CAS 6247-34-3) is a chemical compound with molecular formula C22H17N3O6S and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: C.I. Acid Blue 40, Egacid Blue A 2G, Ahcoquinone Blue A 2G, Anthraquinone Blue 2GAN, Acid Alizarine Blue A 2G
| Molecular Formula | C22H17N3O6S |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.0838 |
| Heavy Atoms | 32 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 6247-34-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | CKDSSRXGNPFPPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Acid Blue 40 (CAS 6247-34-3), with molecular formula C22H17N3O6S and molecular weight 451.08 g/mol. IUPAC: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of C.I. Acid Blue 40
Property Insights of C.I. Acid Blue 40
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Acid Blue 40. The TPSA of 164.0 Ų indicates high polarity, suggesting C.I. Acid Blue 40 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Acid Blue 40 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Acid Blue 40?
The CAS number of C.I. Acid Blue 40 is 6247-34-3.
What is the molecular formula of C.I. Acid Blue 40?
The molecular formula of C.I. Acid Blue 40 is C22H17N3O6S.
What is the molecular weight of C.I. Acid Blue 40?
The molecular weight of C.I. Acid Blue 40 is 451.08 g/mol.
Where can I buy C.I. Acid Blue 40?
You can request a quote for C.I. Acid Blue 40 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 40?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Blue 40 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.