C.I. Acid Green 3
TL;DR: C.I. Acid Green 3 (CAS 4680-78-8) is a chemical compound with molecular formula C37H35N2NaO6S2 and molecular weight 690.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
Also Known As: Acid Green 3, Guinea green B, Acid Green, Food Green 1, Calcocid Green G
| Molecular Formula | C37H35N2NaO6S2 |
|---|---|
| Molecular Weight | 690.18 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 690.1834 |
| Heavy Atoms | 48 |
| Complexity | 1250.0 |
| Melting Point | 255 °C (decomposes) |
| Solubility | In 2-methoxyethanol 20 mg/mL; in ethanol 9 mg/mL |
Chemical Identifiers
| CAS Number | 4680-78-8 |
|---|---|
| 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=C5.[Na+] |
| InChIKey | XKTMIJODWOEBKO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Acid Green 3 (CAS 4680-78-8), with molecular formula C37H35N2NaO6S2 and molecular weight 690.18 g/mol. IUPAC: sodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate.
Chemical Property Profile of C.I. Acid Green 3
Property Insights of C.I. Acid Green 3
The XLogP value of 3.13 indicates that C.I. Acid Green 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I. Acid Green 3. Following Lipinski's Rule of Five, C.I. Acid Green 3 has 0 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 Green 3?
The CAS number of C.I. Acid Green 3 is 4680-78-8.
What is the molecular formula of C.I. Acid Green 3?
The molecular formula of C.I. Acid Green 3 is C37H35N2NaO6S2.
What is the molecular weight of C.I. Acid Green 3?
The molecular weight of C.I. Acid Green 3 is 690.18 g/mol.
Where can I buy C.I. Acid Green 3?
You can request a quote for C.I. Acid Green 3 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 Green 3?
Yes, KEHONG BIO provides custom synthesis services for C.I. Acid Green 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.