![4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate structure](/static/products/103/1032668-60-2.png)
4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate
TL;DR: 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate (CAS 1032668-60-2) is a chemical compound with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 3-methylbenzoate
Also Known As: ETHYL 2-AMINO-5-CHLORO-3-METHYLBENZOATE, 4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate, [4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 3-methylbenzoate
| Molecular Formula | C18H14N2O3S |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 3.14322 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.0725 |
| Heavy Atoms | 24 |
| Complexity | 870.0875 |
Chemical Identifiers
| CAS Number | 1032668-60-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\C(=O)N=C(S3)N |
Product Overview
4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate (CAS 1032668-60-2), with molecular formula C18H14N2O3S and molecular weight 338.07 g/mol. IUPAC: [4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 3-methylbenzoate.
Chemical Property Profile of 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate
Property Insights of 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate
The XLogP value of 3.14322 indicates that 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate. Following Lipinski's Rule of Five, 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate 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 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate?
The CAS number of 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate is 1032668-60-2.
What is the molecular formula of 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate?
The molecular formula of 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate is C18H14N2O3S.
What is the molecular weight of 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate?
The molecular weight of 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate is 338.07 g/mol.
Where can I buy 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate?
You can request a quote for 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.