Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate
TL;DR: Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate (CAS 373375-83-8) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(benzoylhydrazinylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]acetate
Also Known As: methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate, methyl 2-[2-(benzoylhydrazinylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]acetate
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 1.5057 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 728.0979 |
Chemical Identifiers
| CAS Number | 373375-83-8 |
|---|---|
| SMILES | COC(=O)C=C1C(=O)N(C(=NNC(=O)C2=CC=CC=C2)S1)CC=C |
Product Overview
Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate (CAS 373375-83-8), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: methyl 2-[2-(benzoylhydrazinylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate
Property Insights of Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate
The XLogP value of 1.5057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate has 1 hydrogen bond donor(s) and 6 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-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate?
The CAS number of Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate is 373375-83-8.
What is the molecular formula of Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate?
The molecular formula of Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate is C16H15N3O4S.
What is the molecular weight of Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate?
The molecular weight of Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate is 345.08 g/mol.
Where can I buy Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate?
You can request a quote for Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)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-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-allyl-2-(2-benzoylhydrazono)-4-oxothiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.