![methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate structure](/static/products/4304/430445-84-4.webp)
methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate
TL;DR: methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate (CAS 430445-84-4) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
Also Known As: AB00112521-01, AB00112521-03, AN-989/40768674, methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate, methyl 4-[(Z)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 1.1606 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 578.056 |
Chemical Identifiers
| CAS Number | 430445-84-4 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/NC1=S |
Product Overview
methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate (CAS 430445-84-4), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: methyl 4-[(Z)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate.
Chemical Property Profile of methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate
Property Insights of methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate
The XLogP value of 1.1606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate. With a topological polar surface area (TPSA) of 58.64 Ų, methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate 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 methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate?
The CAS number of methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate is 430445-84-4.
What is the molecular formula of methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate?
The molecular formula of methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate is C13H12N2O3S.
What is the molecular weight of methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate?
The molecular weight of methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate is 276.06 g/mol.
Where can I buy methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate?
You can request a quote for methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-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-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(Z)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.