(3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester
TL;DR: (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester (CAS 56196-67-9) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate
Also Known As: (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester
| Molecular Formula | C7H9NO3S |
|---|---|
| Molecular Weight | 187.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.03032 |
| Heavy Atoms | 12 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 56196-67-9 |
|---|---|
| SMILES | CN1C(=O)CSC1=CC(=O)OC |
| InChIKey | KWLWIZMHNJBUFO-UHFFFAOYSA-N |
Product Overview
(3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester (CAS 56196-67-9), with molecular formula C7H9NO3S and molecular weight 187.03 g/mol. IUPAC: methyl 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester
Property Insights of (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester. Following Lipinski's Rule of Five, (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester 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 (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester?
The CAS number of (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester is 56196-67-9.
What is the molecular formula of (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester?
The molecular formula of (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester is C7H9NO3S.
What is the molecular weight of (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester?
The molecular weight of (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester is 187.03 g/mol.
Where can I buy (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester?
You can request a quote for (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-4-oxothiazolidin-2-ylidene)acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.