Rhodanile Blue
TL;DR: Rhodanile Blue (CAS 14969-56-3) is a chemical compound with molecular formula C48H48ClN5O3 and molecular weight 777.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide chloride
Also Known As: Rhodanile blue, Ammonium, chloride, Ethanaminium, chloride, 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide;chloride, Ammonium, (6-(diethylamino)-9-(o-((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)carbamoyl)phenyl)-3H-xanthen-3-ylidene)diethyl-, chloride
| Molecular Formula | C48H48ClN5O3 |
|---|---|
| Molecular Weight | 777.34 g/mol |
| LogP | 8.22 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 777.34454 |
| Heavy Atoms | 57 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 14969-56-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC=CC=C5C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(CC)CC)N(CC)CC)C=C3O2.[Cl-] |
| InChIKey | UYQVPCFMVWEDCA-UHFFFAOYSA-M |
Product Overview
Rhodanile Blue (CAS 14969-56-3), with molecular formula C48H48ClN5O3 and molecular weight 777.34 g/mol. IUPAC: 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide chloride.
Chemical Property Profile of Rhodanile Blue
Property Insights of Rhodanile Blue
The XLogP value of 8.22 indicates that Rhodanile Blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Rhodanile Blue. Following Lipinski's Rule of Five, Rhodanile Blue has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rhodanile Blue?
The CAS number of Rhodanile Blue is 14969-56-3.
What is the molecular formula of Rhodanile Blue?
The molecular formula of Rhodanile Blue is C48H48ClN5O3.
What is the molecular weight of Rhodanile Blue?
The molecular weight of Rhodanile Blue is 777.34 g/mol.
Where can I buy Rhodanile Blue?
You can request a quote for Rhodanile Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodanile Blue?
Yes, KEHONG BIO provides custom synthesis services for Rhodanile Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.