N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
TL;DR: N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CAS 777869-27-9) is a chemical compound with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
Also Known As: N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide, N-(4-Methyl-3-nitro-phenyl)-2-(3-oxo-thiomorpholin-2-yl)-acetamide, N-(4-methyl-3-nitrophenyl)-2-(3-oxo(1,4-thiazaperhydroin-2-yl))acetamide
| Molecular Formula | C13H15N3O4S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 1.46342 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.07834 |
| Heavy Atoms | 21 |
| Complexity | 590.7792 |
Chemical Identifiers
| CAS Number | 777869-27-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NCCS2)[N+](=O)[O-] |
Product Overview
N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CAS 777869-27-9), with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol. IUPAC: N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
Chemical Property Profile of N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
Property Insights of N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
The XLogP value of 1.46342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide. Following Lipinski's Rule of Five, N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has 2 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 N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The CAS number of N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is 777869-27-9.
What is the molecular formula of N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The molecular formula of N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is C13H15N3O4S.
What is the molecular weight of N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The molecular weight of N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is 309.08 g/mol.
Where can I buy N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
You can request a quote for N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-3-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.