Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline
TL;DR: Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline (CAS 77557-39-2) is a chemical compound with molecular formula C30H37N3O4S and molecular weight 535.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-4-methyl-N-(2-prop-2-enoxyphenyl)benzenesulfonamide
Also Known As: Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline, Benzenesulfonamide, N-(2-hydroxy-3-(4-(phenylmethyl)-1-piperazinyl)propyl)-4-methyl-N-(2-(2-propentyloxy)phenyl)-, N-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-4-methyl-N-(2-prop-2-enoxyphenyl)benzenesulfonamide, N-[2-hydroxy-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-4-methyl-N-(2-prop-2-enoxyphenyl)benzenesulfonamide, N-[3-(4-Benzylpiperazin-1-yl)-2-hydroxypropyl]-4-methyl-N-{2-[(prop-2-en-1-yl)oxy]phenyl}benzene-1-sulfonamide
| Molecular Formula | C30H37N3O4S |
|---|---|
| Molecular Weight | 535.25 g/mol |
| LogP | 3.93382 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 535.2505 |
| Heavy Atoms | 38 |
| Complexity | 1274.3649 |
Chemical Identifiers
| CAS Number | 77557-39-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCN(CC2)CC3=CC=CC=C3)O)C4=CC=CC=C4OCC=C |
Product Overview
Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline (CAS 77557-39-2), with molecular formula C30H37N3O4S and molecular weight 535.25 g/mol. IUPAC: N-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-4-methyl-N-(2-prop-2-enoxyphenyl)benzenesulfonamide.
Chemical Property Profile of Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline
Property Insights of Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline
The XLogP value of 3.93382 indicates that Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline. Following Lipinski's Rule of Five, Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline 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 Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline?
The CAS number of Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline is 77557-39-2.
What is the molecular formula of Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline?
The molecular formula of Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline is C30H37N3O4S.
What is the molecular weight of Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline?
The molecular weight of Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline is 535.25 g/mol.
Where can I buy Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline?
You can request a quote for Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for Allyloxy-2 N-((benzyl-4 piperazinyl-1)-3 hydroxy-2 propyl) N-(methyl-4 benzenesulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.