![methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate structure](/static/products/3048/304861-41-4.webp)
methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate
TL;DR: methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate (CAS 304861-41-4) is a chemical compound with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
Also Known As: AKOS B018350, CHEMBRDG-BB 3018350, 9635AD, methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate, 2-amino-5-methylsulphonyl-benzimidazole
| Molecular Formula | C12H9NO3S2 |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 1.962 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.00238 |
| Heavy Atoms | 18 |
| Complexity | 548.94586 |
Chemical Identifiers
| CAS Number | 304861-41-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2 |
Product Overview
methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate (CAS 304861-41-4), with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol. IUPAC: methyl 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate.
Chemical Property Profile of methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate
Property Insights of methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate
The XLogP value of 1.962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate has 1 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 methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate?
The CAS number of methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate is 304861-41-4.
What is the molecular formula of methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate?
The molecular formula of methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate is C12H9NO3S2.
What is the molecular weight of methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate?
The molecular weight of methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate is 279.00 g/mol.
Where can I buy methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate?
You can request a quote for methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.