![Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate structure](/static/products/3918/391876-94-1.webp)
Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
TL;DR: Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (CAS 391876-94-1) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Also Known As: F0473-0355, methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate, methyl 4-{[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzoate, (E)-methyl 4-((3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.7675 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 951.87897 |
Chemical Identifiers
| CAS Number | 391876-94-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (CAS 391876-94-1), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Property Insights of Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
The XLogP value of 2.7675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(3-methyl-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-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The CAS number of Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is 391876-94-1.
What is the molecular formula of Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The molecular formula of Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is C17H14N2O3S.
What is the molecular weight of Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The molecular weight of Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is 326.07 g/mol.
Where can I buy Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
You can request a quote for Methyl 4-[(3-methyl-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-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.