![Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate structure](/static/products/868/868375-29-5.png)
Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
TL;DR: Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (CAS 868375-29-5) is a chemical compound with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Also Known As: F1814-1680, methyl 4-{[(2Z)-3-ethyl-4-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzoate, methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate, (Z)-methyl 4-((3-ethyl-4-fluorobenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate
| Molecular Formula | C18H15FN2O3S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.3895 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.07874 |
| Heavy Atoms | 25 |
| Complexity | 1018.97235 |
Chemical Identifiers
| CAS Number | 868375-29-5 |
|---|---|
| SMILES | CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC)F |
Product Overview
Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (CAS 868375-29-5), with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol. IUPAC: methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Property Insights of Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
The XLogP value of 3.3895 indicates that Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate 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 Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The CAS number of Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is 868375-29-5.
What is the molecular formula of Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The molecular formula of Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is C18H15FN2O3S.
What is the molecular weight of Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The molecular weight of Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is 358.08 g/mol.
Where can I buy Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
You can request a quote for Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]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-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.