![Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate structure](/static/products/941/941872-04-4.png)
Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
TL;DR: Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate (CAS 941872-04-4) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-1427, methyl 2-[(2Z)-6-acetamido-2-[(3-phenylpropanoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(6-acetamido-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.8943 |
| Topological Polar Surface Area | 89.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1115.9066 |
Chemical Identifiers
| CAS Number | 941872-04-4 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC(=O)OC |
Product Overview
Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate (CAS 941872-04-4), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
Property Insights of Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
The XLogP value of 2.8943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate. The TPSA of 89.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate 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 Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate?
The CAS number of Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate is 941872-04-4.
What is the molecular formula of Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate is C21H21N3O4S.
What is the molecular weight of Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate is 411.13 g/mol.
Where can I buy Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]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-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.