N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline
TL;DR: N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline (CAS 795310-72-4) is a chemical compound with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine
Also Known As: 1-benzyl-N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-amine, N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline, 1-Benzyl-N-[4-(methanesulfonyl)-2-nitrophenyl]piperidin-4-amine, N-[4-(Methylsulfonyl)-2-nitrophenyl]-1-(phenylmethyl)-4-piperidinamine
| Molecular Formula | C19H23N3O4S |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 3.0748 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.14093 |
| Heavy Atoms | 27 |
| Complexity | 907.80695 |
Chemical Identifiers
| CAS Number | 795310-72-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline (CAS 795310-72-4), with molecular formula C19H23N3O4S and molecular weight 389.14 g/mol. IUPAC: 1-benzyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine.
Chemical Property Profile of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline
Property Insights of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline
The XLogP value of 3.0748 indicates that N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline. Following Lipinski's Rule of Five, N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline?
The CAS number of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline is 795310-72-4.
What is the molecular formula of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline?
The molecular formula of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline is C19H23N3O4S.
What is the molecular weight of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline?
The molecular weight of N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline is 389.14 g/mol.
Where can I buy N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline?
You can request a quote for N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzylpiperidin-4-yl)-2-nitro-4-methylsulphonylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.