Nile Blue 2B
TL;DR: Nile Blue 2B (CAS 4451-88-1) is a chemical compound with molecular formula C27H26ClN3O and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(benzylamino)benzo[a]phenoxazin-9-ylidene]-diethylazanium chloride
Also Known As: Nile Blue 2B, Nilblau, Nile Blue BB, Nilblau [German], Benzo[a]phenazoxonium, chloride
| Molecular Formula | C27H26ClN3O |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 2.51 |
| Topological Polar Surface Area | 36.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.17645 |
| Heavy Atoms | 32 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 4451-88-1 |
|---|---|
| SMILES | CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCC5=CC=CC=C5)OC2=C1)CC.[Cl-] |
| InChIKey | FAJDWNKDRFAWLS-UHFFFAOYSA-N |
Product Overview
Nile Blue 2B (CAS 4451-88-1), with molecular formula C27H26ClN3O and molecular weight 443.18 g/mol. IUPAC: [5-(benzylamino)benzo[a]phenoxazin-9-ylidene]-diethylazanium chloride.
Chemical Property Profile of Nile Blue 2B
Property Insights of Nile Blue 2B
The XLogP value of 2.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nile Blue 2B. With a topological polar surface area (TPSA) of 36.6 Ų, Nile Blue 2B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nile Blue 2B has 1 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 Nile Blue 2B?
The CAS number of Nile Blue 2B is 4451-88-1.
What is the molecular formula of Nile Blue 2B?
The molecular formula of Nile Blue 2B is C27H26ClN3O.
What is the molecular weight of Nile Blue 2B?
The molecular weight of Nile Blue 2B is 443.18 g/mol.
Where can I buy Nile Blue 2B?
You can request a quote for Nile Blue 2B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nile Blue 2B?
Yes, KEHONG BIO provides custom synthesis services for Nile Blue 2B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.