RefChem:379632
TL;DR: RefChem:379632 (CAS 63992-04-1) is a chemical compound with molecular formula C42H63Cl6N9 and molecular weight 903.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,6-bis[2-[[chloro(phenyl)methyl]-diethylazaniumyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl-[chloro(phenyl)methyl]-diethylazanium trichloride
Also Known As: 2-Methyl-3-p-tolyloxy-propan-1,2-diol, 2,4,6-Tris(2'-(alpha-chlorotolyldiethylammonio)ethylamino)-s-triazine trichloride, s-Triazine, 2,4,6-tris(2'-(alpha-chlorotolyldiethylammonio)ethylamino)-, trichloride, 2,2',2''-(1,3,5-triazine-2,4,6-triyltriimino)tris{n-[chloro(phenyl)methyl]-n,n-diethylethanaminium} trichloride, 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)cyclopropylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C42H63Cl6N9 |
|---|---|
| Molecular Weight | 903.33 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 24 |
| Exact Mass | 905.3308 |
| Heavy Atoms | 57 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 63992-04-1 |
|---|---|
| SMILES | CC[N+](CC)(CCNC1=NC(=NC(=N1)NCC[N+](CC)(CC)C(C2=CC=CC=C2)Cl)NCC[N+](CC)(CC)C(C3=CC=CC=C3)Cl)C(C4=CC=CC=C4)Cl.[Cl-].[Cl-].[Cl-] |
| InChIKey | BIQUEINOVWAMFM-UHFFFAOYSA-K |
Product Overview
RefChem:379632 (CAS 63992-04-1), with molecular formula C42H63Cl6N9 and molecular weight 903.33 g/mol. IUPAC: 2-[[4,6-bis[2-[[chloro(phenyl)methyl]-diethylazaniumyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl-[chloro(phenyl)methyl]-diethylazanium trichloride.
Chemical Property Profile of RefChem:379632
Property Insights of RefChem:379632
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:379632. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:379632. Following Lipinski's Rule of Five, RefChem:379632 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:379632?
The CAS number of RefChem:379632 is 63992-04-1.
What is the molecular formula of RefChem:379632?
The molecular formula of RefChem:379632 is C42H63Cl6N9.
What is the molecular weight of RefChem:379632?
The molecular weight of RefChem:379632 is 903.33 g/mol.
Where can I buy RefChem:379632?
You can request a quote for RefChem:379632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:379632?
Yes, KEHONG BIO provides custom synthesis services for RefChem:379632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.