Basic Blue 81
TL;DR: Basic Blue 81 (CAS 1476-82-0) is a chemical compound with molecular formula C39H44ClN3O and molecular weight 605.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(4-ethoxyphenyl)azanium chloride
Also Known As: Basic Blue 81, C.I. Basic Blue 81, n-[(1e)-4-{bis[4-(diethylamino)phenyl]methylidene}naphthalen-1(4h)-ylidene]-4-ethoxyanilinium chloride, [4-[[4-(diethylamino)phenyl][4-[(4-ethoxyphenyl)amino]-1-naphthyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride, [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(4-ethoxyphenyl)azanium;chloride
| Molecular Formula | C39H44ClN3O |
|---|---|
| Molecular Weight | 605.32 g/mol |
| LogP | 4.512 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 605.31726 |
| Heavy Atoms | 44 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 1476-82-0 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=C(C=C3)OCC)C4=CC=CC=C24)C5=CC=C(C=C5)N(CC)CC.[Cl-] |
| InChIKey | HLSSMVIOSHNMBX-UHFFFAOYSA-N |
Product Overview
Basic Blue 81 (CAS 1476-82-0), with molecular formula C39H44ClN3O and molecular weight 605.32 g/mol. IUPAC: [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(4-ethoxyphenyl)azanium chloride.
Chemical Property Profile of Basic Blue 81
Property Insights of Basic Blue 81
The XLogP value of 4.512 indicates that Basic Blue 81 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.7 Ų, Basic Blue 81 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Basic Blue 81 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Basic Blue 81?
The CAS number of Basic Blue 81 is 1476-82-0.
What is the molecular formula of Basic Blue 81?
The molecular formula of Basic Blue 81 is C39H44ClN3O.
What is the molecular weight of Basic Blue 81?
The molecular weight of Basic Blue 81 is 605.32 g/mol.
Where can I buy Basic Blue 81?
You can request a quote for Basic Blue 81 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Blue 81?
Yes, KEHONG BIO provides custom synthesis services for Basic Blue 81 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.