RefChem:811412
TL;DR: RefChem:811412 (CAS 68083-41-0) is a chemical compound with molecular formula C71H89N6+3 and molecular weight 1025.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris([4-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);methane
Also Known As: Malachite green, phosphomolybdate, KST-1A7570, [4-[(4-dimethylaminophenyl)-phenyl-methyl]-1-cyclohexa-2,5-dienylidene]-dimethyl-ammonium; methane, Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-O:O:O:O':O':O':O'':O'':O'':O''':O''':O'''))dodecamolybdate(3-) (3:1), Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, tetracosa-mu-oxododecaoxo(mu12-(phosphato(3-)-kappaO:kappaO:kappaO:kappaO':kappaO':kappaO':kappaO'':kappaO'':kappaO'':kappaO''':kappaO''':kappaO'''))dodecamolybdate(3-) (3:1)
| Molecular Formula | C71H89N6+3 |
|---|---|
| Molecular Weight | 1025.71 g/mol |
| LogP | 14.29 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 1025.7148 |
| Heavy Atoms | 77 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 68083-41-0 |
|---|---|
| SMILES | C.C.CN(C)C1=CC=C(C=C1)C(C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3 |
| InChIKey | BLJWYPBZTAFNPO-UHFFFAOYSA-N |
Product Overview
RefChem:811412 (CAS 68083-41-0), with molecular formula C71H89N6+3 and molecular weight 1025.71 g/mol. IUPAC: tris([4-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);methane.
Chemical Property Profile of RefChem:811412
Property Insights of RefChem:811412
The XLogP value of 14.29 indicates that RefChem:811412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, RefChem:811412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:811412 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:811412?
The CAS number of RefChem:811412 is 68083-41-0.
What is the molecular formula of RefChem:811412?
The molecular formula of RefChem:811412 is C71H89N6+3.
What is the molecular weight of RefChem:811412?
The molecular weight of RefChem:811412 is 1025.71 g/mol.
Where can I buy RefChem:811412?
You can request a quote for RefChem:811412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:811412?
Yes, KEHONG BIO provides custom synthesis services for RefChem:811412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.