Acid Green 9 free acid
TL;DR: Acid Green 9 free acid (CAS 25305-97-9) is a chemical compound with molecular formula C37H35ClN2O6S2 and molecular weight 702.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Also Known As: Acid Green 9 free acid, ALIZARIN GREEN, ACILAN TURQUOISE BLUE B, EINECS 246-804-7, C.I. ACID GREEN 9 FREE ACID
| Molecular Formula | C37H35ClN2O6S2 |
|---|---|
| Molecular Weight | 702.16 g/mol |
| LogP | 7.1188 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 702.16254 |
| Heavy Atoms | 48 |
| Complexity | 2153.1345 |
Chemical Identifiers
| CAS Number | 25305-97-9 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5Cl |
Product Overview
Acid Green 9 free acid (CAS 25305-97-9), with molecular formula C37H35ClN2O6S2 and molecular weight 702.16 g/mol. IUPAC: 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate.
Chemical Property Profile of Acid Green 9 free acid
Property Insights of Acid Green 9 free acid
The XLogP value of 7.1188 indicates that Acid Green 9 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Acid Green 9 free acid. Following Lipinski's Rule of Five, Acid Green 9 free acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acid Green 9 free acid?
The CAS number of Acid Green 9 free acid is 25305-97-9.
What is the molecular formula of Acid Green 9 free acid?
The molecular formula of Acid Green 9 free acid is C37H35ClN2O6S2.
What is the molecular weight of Acid Green 9 free acid?
The molecular weight of Acid Green 9 free acid is 702.16 g/mol.
Where can I buy Acid Green 9 free acid?
You can request a quote for Acid Green 9 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Green 9 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid Green 9 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.