Xylenolblau
TL;DR: Xylenolblau (CAS 401599-88-0) is a chemical compound with molecular formula C23H22O5S and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonic acid
Also Known As: Xylenolblau, 2-((2,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)(4-hydroxy-2,5-dimethylphenyl)methyl)benzenesulfonic acid, 2-[(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonic acid
| Molecular Formula | C23H22O5S |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 4.53294 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.1188 |
| Heavy Atoms | 29 |
| Complexity | 1227.9097 |
Chemical Identifiers
| CAS Number | 401599-88-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1O)C)/C(=C\2/C=C(C(=O)C=C2C)C)/C3=CC=CC=C3S(=O)(=O)O |
Product Overview
Xylenolblau (CAS 401599-88-0), with molecular formula C23H22O5S and molecular weight 410.12 g/mol. IUPAC: 2-[(E)-(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonic acid.
Chemical Property Profile of Xylenolblau
Property Insights of Xylenolblau
The XLogP value of 4.53294 indicates that Xylenolblau is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Xylenolblau. Following Lipinski's Rule of Five, Xylenolblau has 2 hydrogen bond donor(s) and 4 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 Xylenolblau?
The CAS number of Xylenolblau is 401599-88-0.
What is the molecular formula of Xylenolblau?
The molecular formula of Xylenolblau is C23H22O5S.
What is the molecular weight of Xylenolblau?
The molecular weight of Xylenolblau is 410.12 g/mol.
Where can I buy Xylenolblau?
You can request a quote for Xylenolblau directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylenolblau?
Yes, KEHONG BIO provides custom synthesis services for Xylenolblau and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.