Xylidyl blue I
TL;DR: Xylidyl blue I (CAS 36505-52-9) is a chemical compound with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonic acid
Also Known As: Xylidyl blue I, XylidylbuleI, Xylylazo Violet I, Xylidyl Blue 1, 3-[[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonic acid
| Molecular Formula | C25H21N3O6S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.1151 |
| Heavy Atoms | 35 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 36505-52-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C3=CC=CC=C32)N=NC4=C(C=CC(=C4)S(=O)(=O)O)O)O)C |
| InChIKey | JZQONTDEAKNNEP-UHFFFAOYSA-N |
Product Overview
Xylidyl blue I (CAS 36505-52-9), with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol. IUPAC: 3-[[4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonic acid.
Chemical Property Profile of Xylidyl blue I
Property Insights of Xylidyl blue I
The XLogP value of 4.5 indicates that Xylidyl blue I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting Xylidyl blue I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xylidyl blue I has 4 hydrogen bond donor(s) and 8 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 Xylidyl blue I?
The CAS number of Xylidyl blue I is 36505-52-9.
What is the molecular formula of Xylidyl blue I?
The molecular formula of Xylidyl blue I is C25H21N3O6S.
What is the molecular weight of Xylidyl blue I?
The molecular weight of Xylidyl blue I is 491.12 g/mol.
Where can I buy Xylidyl blue I?
You can request a quote for Xylidyl blue I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylidyl blue I?
Yes, KEHONG BIO provides custom synthesis services for Xylidyl blue I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.