Molybdate blue
TL;DR: Molybdate blue (CAS 68409-66-5) is a chemical compound with molecular formula C33H42N3+ and molecular weight 480.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-yl]-diethylazanium
Also Known As: Molybdate blue, Pigment blue 1:3, C.I. PIGMENT BLUE 1:3, Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, molybdatephosphate, [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-yl]-diethylazanium
| Molecular Formula | C33H42N3+ |
|---|---|
| Molecular Weight | 480.34 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 19.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.33786 |
| Heavy Atoms | 36 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 68409-66-5 |
|---|---|
| SMILES | CCNC1=CC=C(C2=CC=CC=C21)C(=C3C=CC(C=C3)[NH+](CC)CC)C4=CC=C(C=C4)N(CC)CC |
| InChIKey | NDDCJNFXJXXCKI-UHFFFAOYSA-O |
Product Overview
Molybdate blue (CAS 68409-66-5), with molecular formula C33H42N3+ and molecular weight 480.34 g/mol. IUPAC: [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-yl]-diethylazanium.
Chemical Property Profile of Molybdate blue
Property Insights of Molybdate blue
The XLogP value of 8.5 indicates that Molybdate blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.7 Ų, Molybdate blue exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Molybdate blue has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Molybdate blue?
The CAS number of Molybdate blue is 68409-66-5.
What is the molecular formula of Molybdate blue?
The molecular formula of Molybdate blue is C33H42N3+.
What is the molecular weight of Molybdate blue?
The molecular weight of Molybdate blue is 480.34 g/mol.
Where can I buy Molybdate blue?
You can request a quote for Molybdate blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Molybdate blue?
Yes, KEHONG BIO provides custom synthesis services for Molybdate blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.