2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
TL;DR: 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide (CAS 431925-17-6) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
Also Known As: AB00116709-01, 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide, 2-[(4-nitrophenyl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide, 2-((4-nitrophenyl)thio)-N-((tetrahydrofuran-2-yl)methyl)benzamide, 2-[(4-NITROPHENYL)SULFANYL]-N~1~-(TETRAHYDRO-2-FURANYLMETHYL)BENZAMIDE
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.6548 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 757.92633 |
Chemical Identifiers
| CAS Number | 431925-17-6 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide (CAS 431925-17-6), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide.
Chemical Property Profile of 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
Property Insights of 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide
The XLogP value of 3.6548 indicates that 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide has 1 hydrogen bond donor(s) and 5 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 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The CAS number of 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide is 431925-17-6.
What is the molecular formula of 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The molecular formula of 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide is C18H18N2O4S.
What is the molecular weight of 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
The molecular weight of 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide is 358.10 g/mol.
Where can I buy 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
You can request a quote for 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)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-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)sulfanyl-N-(oxolan-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.