Water Blue
TL;DR: Water Blue (CAS 756754-18-4) is a chemical compound with molecular formula C32H27N3 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Also Known As: Water Blue, MARINE BLUE, Aniline Blue (C.I. 42755), ANILINE BLUE, WATER SOLUBLE, 4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
| Molecular Formula | C32H27N3 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.2205 |
| Heavy Atoms | 35 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 756754-18-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=CC=CC=C3)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N |
| InChIKey | LBLFVSANTXZPEX-UHFFFAOYSA-N |
Product Overview
Water Blue (CAS 756754-18-4), with molecular formula C32H27N3 and molecular weight 453.22 g/mol. IUPAC: 4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline.
Chemical Property Profile of Water Blue
Property Insights of Water Blue
The XLogP value of 7.6 indicates that Water Blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, Water Blue exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Water Blue has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Water Blue?
The CAS number of Water Blue is 756754-18-4.
What is the molecular formula of Water Blue?
The molecular formula of Water Blue is C32H27N3.
What is the molecular weight of Water Blue?
The molecular weight of Water Blue is 453.22 g/mol.
Where can I buy Water Blue?
You can request a quote for Water Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Water Blue?
Yes, KEHONG BIO provides custom synthesis services for Water Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.