Leucoberbelin blue I
TL;DR: Leucoberbelin blue I (CAS 52748-86-4) is a chemical compound with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid
Also Known As: Leucoberbelin blue I, Leuco berbelin blue I, 2-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid, Leucoberbelin Blue I, Dye content 65 %, J3.493.866K
| Molecular Formula | C23H26N2O3S |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1664 |
| Heavy Atoms | 29 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 52748-86-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3S(=O)(=O)O |
| InChIKey | MCKLFIWDQVFMEK-UHFFFAOYSA-N |
Product Overview
Leucoberbelin blue I (CAS 52748-86-4), with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol. IUPAC: 2-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid.
Chemical Property Profile of Leucoberbelin blue I
Property Insights of Leucoberbelin blue I
The XLogP value of 4.3 indicates that Leucoberbelin blue I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Leucoberbelin blue I. Following Lipinski's Rule of Five, Leucoberbelin blue I has 1 hydrogen bond donor(s) and 5 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 Leucoberbelin blue I?
The CAS number of Leucoberbelin blue I is 52748-86-4.
What is the molecular formula of Leucoberbelin blue I?
The molecular formula of Leucoberbelin blue I is C23H26N2O3S.
What is the molecular weight of Leucoberbelin blue I?
The molecular weight of Leucoberbelin blue I is 410.17 g/mol.
Where can I buy Leucoberbelin blue I?
You can request a quote for Leucoberbelin blue I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leucoberbelin blue I?
Yes, KEHONG BIO provides custom synthesis services for Leucoberbelin blue I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.