![Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate structure](/static/products/868/868674-18-4.png)
Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
TL;DR: Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (CAS 868674-18-4) is a chemical compound with molecular formula C20H16N2O4S and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Also Known As: F1816-0732, methyl 4-{[(2Z)-4-methoxy-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzoate, (Z)-methyl 4-((4-methoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate, methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
| Molecular Formula | C20H16N2O4S |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 2.8723 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.08307 |
| Heavy Atoms | 27 |
| Complexity | 1117.5746 |
Chemical Identifiers
| CAS Number | 868674-18-4 |
|---|---|
| SMILES | COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC#C |
Product Overview
Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (CAS 868674-18-4), with molecular formula C20H16N2O4S and molecular weight 380.08 g/mol. IUPAC: methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Property Insights of Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
The XLogP value of 2.8723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate has 0 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 Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The CAS number of Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is 868674-18-4.
What is the molecular formula of Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The molecular formula of Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is C20H16N2O4S.
What is the molecular weight of Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The molecular weight of Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is 380.08 g/mol.
Where can I buy Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
You can request a quote for Methyl 4-[(4-methoxy-3-prop-2-ynyl-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-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.