N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
TL;DR: N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CAS 876667-79-7) is a chemical compound with molecular formula C13H15ClN2O2S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
Also Known As: BAS 12534395, N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide, AB01284828-01, N-(5-Chloro-2-methyl-phenyl)-2-(3-oxo-thiomorpholin-2-yl)-acetamide, N-(5-chloro-2-methylphenyl)-2-(3-oxo(1,4-thiazaperhydroin-2-yl))acetamide
| Molecular Formula | C13H15ClN2O2S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.20862 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0543 |
| Heavy Atoms | 19 |
| Complexity | 507.41663 |
Chemical Identifiers
| CAS Number | 876667-79-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCS2 |
Product Overview
N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CAS 876667-79-7), with molecular formula C13H15ClN2O2S and molecular weight 298.05 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
Chemical Property Profile of N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
Property Insights of N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
The XLogP value of 2.20862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has 2 hydrogen bond donor(s) and 3 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-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The CAS number of N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is 876667-79-7.
What is the molecular formula of N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The molecular formula of N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is C13H15ClN2O2S.
What is the molecular weight of N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The molecular weight of N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is 298.05 g/mol.
Where can I buy N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
You can request a quote for N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.