2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide
TL;DR: 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide (CAS 57752-69-9) is a chemical compound with molecular formula C14H16ClNO3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide
Also Known As: BAS 05599329, 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide, BRD-A44780247-001-07-0, 2-(4-chlorophenoxy)-2-methyl-N-(2-oxotetrahydrothiophen-3-yl)propanamide, 2-(4-chlorophenoxy)-2-methyl-N-(2-oxotetrahydro-3-thienyl)propanamide
| Molecular Formula | C14H16ClNO3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 2.6457 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05396 |
| Heavy Atoms | 20 |
| Complexity | 515.6552 |
Chemical Identifiers
| CAS Number | 57752-69-9 |
|---|---|
| SMILES | CC(C)(C(=O)NC1CCSC1=O)OC2=CC=C(C=C2)Cl |
Product Overview
2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide (CAS 57752-69-9), with molecular formula C14H16ClNO3S and molecular weight 313.05 g/mol. IUPAC: 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide.
Chemical Property Profile of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide
Property Insights of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide
The XLogP value of 2.6457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide 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 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide?
The CAS number of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide is 57752-69-9.
What is the molecular formula of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide?
The molecular formula of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide is C14H16ClNO3S.
What is the molecular weight of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide?
The molecular weight of 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide is 313.05 g/mol.
Where can I buy 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide?
You can request a quote for 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenoxy)-2-methyl-N-(2-oxothiolan-3-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.