W 77
TL;DR: W 77 (CAS 118998-51-9) is a chemical compound with molecular formula C31H40N4O6S and molecular weight 596.26685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 4-[2-[[4-(2-aminoethoxy)phenyl]sulfonyl-methylamino]-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate
Also Known As: W 77, W-77, p-(2-Aminoethyloxy)-N-(2-(4-benzyloxycarbonylpiperazinyl)-1-(p-methoxybenzyl)ethyl)-N-methylbenzenesulfonamide dihydrochloride, benzyl 4-[2-[[4-(2-aminoethoxy)phenyl]sulfonyl-methylamino]-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate, Benzyl 4-[2-{[4-(2-aminoethoxy)benzene-1-sulfonyl](methyl)amino}-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate
Technical Specifications
| Molecular Formula | C31H40N4O6S |
| Molecular Weight | 596.26685 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 596.26685 Da |
| Heavy Atoms | 42 |
| Complexity | 888.0 |
| SMILES | CN(C(CC1=CC=C(C=C1)OC)CN2CCN(CC2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OCCN |
| InChIKey | JFROHKDWBGWDIE-UHFFFAOYSA-N |
Chemical Property Profile of W 77
Property Insights of W 77
The XLogP value of 3.3 indicates that W 77 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for W 77. Following Lipinski's Rule of Five, W 77 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of W 77?
The CAS number of W 77 is 118998-51-9.
What is the molecular formula of W 77?
The molecular formula of W 77 is C31H40N4O6S.
What is the molecular weight of W 77?
The molecular weight of W 77 is 596.26685 g/mol.
Where can I buy W 77?
You can request a quote for W 77 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for W 77?
Yes, CoreyChem provides custom synthesis services for W 77 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.