![(4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate structure](/static/products/5062/5062-99-7.webp)
(4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
TL;DR: (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate (CAS 5062-99-7) is a chemical compound with molecular formula C34H42N4O6S and molecular weight 634.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Also Known As: (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate, 4-nitrobenzyl(1-{3-methyl-4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl}piperidin-4-yl)prop-2-en-1-ylcarbamate, Allyl-(1-((S)-(benzenesulfonyl-methyl-amino)-methyl-phenyl-butyl)-piperidin-4-yl)carbamic acid, 4-nitro-benzyl ester
| Molecular Formula | C34H42N4O6S |
|---|---|
| Molecular Weight | 634.28 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 634.28253 |
| Heavy Atoms | 45 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 5062-99-7 |
|---|---|
| SMILES | CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | NNARXJVWUPPZIP-UHFFFAOYSA-N |
Product Overview
(4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate (CAS 5062-99-7), with molecular formula C34H42N4O6S and molecular weight 634.28 g/mol. IUPAC: (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate.
Chemical Property Profile of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Property Insights of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
The XLogP value of 6.2 indicates that (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate. Following Lipinski's Rule of Five, (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate?
The CAS number of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate is 5062-99-7.
What is the molecular formula of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate?
The molecular formula of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate is C34H42N4O6S.
What is the molecular weight of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate?
The molecular weight of (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate is 634.28 g/mol.
Where can I buy (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate?
You can request a quote for (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.