Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate
TL;DR: Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate (CAS 328022-72-6) is a chemical compound with molecular formula C7H7NO3S and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methyl-4-oxo-1,3-thiazol-5-ylidene)acetate
Also Known As: Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate, Methyl 2-(2-methyl-4-oxo-1,3-thiazol-5-ylidene)acetate, Methyl (2-methyl-4-oxo-1,3-thiazol-5(4H)-ylidene)acetate
| Molecular Formula | C7H7NO3S |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 0.7351 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.01466 |
| Heavy Atoms | 12 |
| Complexity | 293.0266 |
Chemical Identifiers
| CAS Number | 328022-72-6 |
|---|---|
| SMILES | CC1=NC(=O)C(=CC(=O)OC)S1 |
Product Overview
Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate (CAS 328022-72-6), with molecular formula C7H7NO3S and molecular weight 185.01 g/mol. IUPAC: methyl 2-(2-methyl-4-oxo-1,3-thiazol-5-ylidene)acetate.
Chemical Property Profile of Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate
Property Insights of Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate
The XLogP value of 0.7351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate. With a topological polar surface area (TPSA) of 55.73 Ų, Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate has 0 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 Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate?
The CAS number of Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate is 328022-72-6.
What is the molecular formula of Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate?
The molecular formula of Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate is C7H7NO3S.
What is the molecular weight of Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate?
The molecular weight of Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate is 185.01 g/mol.
Where can I buy Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate?
You can request a quote for Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-methyl-4-oxo-5(4H)-thiazolylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.