Guinea green B
TL;DR: Guinea green B (CAS 6638-02-4) is a chemical compound with molecular formula C37H36N2O6S2 and molecular weight 668.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
Also Known As: Guinea green B, Ethyl tosylate, Ethyl p-tosylate, Ethyl PTS, Acid Green 3
| Molecular Formula | C37H36N2O6S2 |
|---|---|
| Molecular Weight | 668.20 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 668.2015 |
| Heavy Atoms | 47 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 6638-02-4 |
|---|---|
| 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 |
| InChIKey | SRRJCDUOSQWHGS-UHFFFAOYSA-N |
Product Overview
Guinea green B (CAS 6638-02-4), with molecular formula C37H36N2O6S2 and molecular weight 668.20 g/mol. IUPAC: 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate.
Chemical Property Profile of Guinea green B
Property Insights of Guinea green B
The XLogP value of 6.0 indicates that Guinea green B 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 Guinea green B. Following Lipinski's Rule of Five, Guinea green B has 1 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 Guinea green B?
The CAS number of Guinea green B is 6638-02-4.
What is the molecular formula of Guinea green B?
The molecular formula of Guinea green B is C37H36N2O6S2.
What is the molecular weight of Guinea green B?
The molecular weight of Guinea green B is 668.20 g/mol.
Where can I buy Guinea green B?
You can request a quote for Guinea green B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guinea green B?
Yes, KEHONG BIO provides custom synthesis services for Guinea green B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.