Xylene cyanol free acid
TL;DR: Xylene cyanol free acid (CAS 21563-96-2) is a chemical compound with molecular formula C25H28N2O7S2 and molecular weight 532.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonic acid
Also Known As: Trypan Blen, Xylene cyanol free acid, 1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-, 4-[[4-(Ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-6-hydroxy-1,3-benzenedisulfonic acid, Toluene-2,4-disulfonic acid, alpha-[4-(ethylamino)-m-tolyl]-alpha-[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-5-hydroxy-
| Molecular Formula | C25H28N2O7S2 |
|---|---|
| Molecular Weight | 532.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.1338 |
| Heavy Atoms | 36 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 21563-96-2 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC(=C(C=C3S(=O)(=O)O)S(=O)(=O)O)O)C |
| InChIKey | NSKAASUNQKDGPA-UHFFFAOYSA-N |
Product Overview
Xylene cyanol free acid (CAS 21563-96-2), with molecular formula C25H28N2O7S2 and molecular weight 532.13 g/mol. IUPAC: 4-[[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonic acid.
Chemical Property Profile of Xylene cyanol free acid
Property Insights of Xylene cyanol free acid
The XLogP value of 3.8 indicates that Xylene cyanol free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Xylene cyanol free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xylene cyanol free acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xylene cyanol free acid?
The CAS number of Xylene cyanol free acid is 21563-96-2.
What is the molecular formula of Xylene cyanol free acid?
The molecular formula of Xylene cyanol free acid is C25H28N2O7S2.
What is the molecular weight of Xylene cyanol free acid?
The molecular weight of Xylene cyanol free acid is 532.13 g/mol.
Where can I buy Xylene cyanol free acid?
You can request a quote for Xylene cyanol free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylene cyanol free acid?
Yes, KEHONG BIO provides custom synthesis services for Xylene cyanol free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.