WY 856
TL;DR: WY 856 (CAS 6022-42-0) is a chemical compound with molecular formula C34H45ClN4O4 and molecular weight 608.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl pyridine-3-carboxylate;hydrochloride
Also Known As: Nicotinic acid, 2-(bis(((alpha,alpha-dimethylphenethyl)methylcarbamoyl)methyl)amino)ethyl ester, hydrochloride, Acetamide, 2,2'-(2-hydroxyethylimino)bis(N-(alpha,alpha-dimethylphenethyl)-N-methyl-, nicotinate, Monohydrochloride, 2-(Bis{2-[methyl(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl}amino)ethyl pyridine-3-carboxylate--hydrogen chloride (1/1), 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl pyridine-3-carboxylate hydrochloride, 3-Pyridinecarboxylic acid, 2-(bis(2-((1,1-dimethyl-2-phenylethyl)methylamino)-2-oxoethyl)amino)ethyl ester, hydrochloride (1:1)
| Molecular Formula | C34H45ClN4O4 |
|---|---|
| Molecular Weight | 608.31 g/mol |
| LogP | 4.9216 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 608.3129 |
| Heavy Atoms | 43 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 6022-42-0 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCOC(=O)C2=CN=CC=C2)CC(=O)N(C)C(C)(C)CC3=CC=CC=C3.Cl |
| InChIKey | UMECEKNCJLEMFB-UHFFFAOYSA-N |
Product Overview
WY 856 (CAS 6022-42-0), with molecular formula C34H45ClN4O4 and molecular weight 608.31 g/mol. IUPAC: 2-[bis[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]ethyl pyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of WY 856
Property Insights of WY 856
The XLogP value of 4.9216 indicates that WY 856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for WY 856. Following Lipinski's Rule of Five, WY 856 has 1 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 WY 856?
The CAS number of WY 856 is 6022-42-0.
What is the molecular formula of WY 856?
The molecular formula of WY 856 is C34H45ClN4O4.
What is the molecular weight of WY 856?
The molecular weight of WY 856 is 608.31 g/mol.
Where can I buy WY 856?
You can request a quote for WY 856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WY 856?
Yes, KEHONG BIO provides custom synthesis services for WY 856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.