2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide
TL;DR: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide (CAS 5889-98-5) is a chemical compound with molecular formula C32H49N5O4S and molecular weight 599.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide
Also Known As: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide, 2-(4-Benzylpiperazin-1-yl)-N-[2-(morpholin-4-yl)ethyl]-5-(octane-1-sulfonamido)benzamide
| Molecular Formula | C32H49N5O4S |
|---|---|
| Molecular Weight | 599.35 g/mol |
| LogP | 4.173 |
| Topological Polar Surface Area | 94.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 599.3505 |
| Heavy Atoms | 42 |
| Complexity | 1196.6416 |
Chemical Identifiers
| CAS Number | 5889-98-5 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4 |
Product Overview
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide (CAS 5889-98-5), with molecular formula C32H49N5O4S and molecular weight 599.35 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide.
Chemical Property Profile of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide
Property Insights of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide
The XLogP value of 4.173 indicates that 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide. Following Lipinski's Rule of Five, 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide?
The CAS number of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide is 5889-98-5.
What is the molecular formula of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide?
The molecular formula of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide is C32H49N5O4S.
What is the molecular weight of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide?
The molecular weight of 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide is 599.35 g/mol.
Where can I buy 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide?
You can request a quote for 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.