Thioflavine phosphomolybdate pigment
TL;DR: Thioflavine phosphomolybdate pigment (CAS 68334-63-4) is a chemical compound with molecular formula C50H59N6S3+3 and molecular weight 839.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(N,N-dimethyl-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)aniline);methane
Also Known As: Thioflavine phosphomolybdate pigment, Thioflavine phosphotungstate pigment, C16H17N2S.1/3Mo12O40P, C16-H17-N2-S.1/3Mo12-O40-P, Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1)
| Molecular Formula | C50H59N6S3+3 |
|---|---|
| Molecular Weight | 839.40 g/mol |
| LogP | 11.65 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 839.39636 |
| Heavy Atoms | 59 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 68334-63-4 |
|---|---|
| SMILES | C.C.C[N+]1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)N(C)C.C[N+]1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)N(C)C.C[N+]1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)N(C)C |
| InChIKey | LLJNPOFVEQIZBK-UHFFFAOYSA-N |
Product Overview
Thioflavine phosphomolybdate pigment (CAS 68334-63-4), with molecular formula C50H59N6S3+3 and molecular weight 839.40 g/mol. IUPAC: tris(N,N-dimethyl-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)aniline);methane.
Chemical Property Profile of Thioflavine phosphomolybdate pigment
Property Insights of Thioflavine phosphomolybdate pigment
The XLogP value of 11.65 indicates that Thioflavine phosphomolybdate pigment is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioflavine phosphomolybdate pigment. Following Lipinski's Rule of Five, Thioflavine phosphomolybdate pigment has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thioflavine phosphomolybdate pigment?
The CAS number of Thioflavine phosphomolybdate pigment is 68334-63-4.
What is the molecular formula of Thioflavine phosphomolybdate pigment?
The molecular formula of Thioflavine phosphomolybdate pigment is C50H59N6S3+3.
What is the molecular weight of Thioflavine phosphomolybdate pigment?
The molecular weight of Thioflavine phosphomolybdate pigment is 839.40 g/mol.
Where can I buy Thioflavine phosphomolybdate pigment?
You can request a quote for Thioflavine phosphomolybdate pigment directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioflavine phosphomolybdate pigment?
Yes, KEHONG BIO provides custom synthesis services for Thioflavine phosphomolybdate pigment and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.