N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide
TL;DR: N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide (CAS 303988-31-0) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-phenylsulfanyl-N-propan-2-ylbenzamide
Also Known As: N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide, 3-nitro-4-(phenylsulfanyl)-N-(propan-2-yl)benzamide, 3-nitro-4-phenylsulfanyl-N-propan-2-ylbenzamide, N-isopropyl-3-nitro-4-phenylsulfanyl-benzamide, N-(1-Methylethyl)-3-nitro-4-(phenylthio)benzamide
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.8842 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 687.0452 |
Chemical Identifiers
| CAS Number | 303988-31-0 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide (CAS 303988-31-0), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 3-nitro-4-phenylsulfanyl-N-propan-2-ylbenzamide.
Chemical Property Profile of N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide
Property Insights of N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide
The XLogP value of 3.8842 indicates that N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide. Following Lipinski's Rule of Five, N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide has 1 hydrogen bond donor(s) and 4 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-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide?
The CAS number of N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide is 303988-31-0.
What is the molecular formula of N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide?
The molecular formula of N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide is C16H16N2O3S.
What is the molecular weight of N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide?
The molecular weight of N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide is 316.09 g/mol.
Where can I buy N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide?
You can request a quote for N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-3-nitro-4-(phenylsulfanyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.