![Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate structure](/static/products/865/865199-29-7.png)
Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
TL;DR: Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate (CAS 865199-29-7) is a chemical compound with molecular formula C19H19N3O5S2 and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Also Known As: F1366-1295, methyl 2-[(2Z)-2-[(3-phenylpropanoyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(2-((3-phenylpropanoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate, Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-benzothiazol-3-yl]acetate
| Molecular Formula | C19H19N3O5S2 |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 1.5833 |
| Topological Polar Surface Area | 120.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.0766 |
| Heavy Atoms | 29 |
| Complexity | 1227.7131 |
Chemical Identifiers
| CAS Number | 865199-29-7 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCC3=CC=CC=C3 |
Product Overview
Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate (CAS 865199-29-7), with molecular formula C19H19N3O5S2 and molecular weight 433.08 g/mol. IUPAC: methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Property Insights of Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
The XLogP value of 1.5833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate. The TPSA of 120.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate has 1 hydrogen bond donor(s) and 6 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-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
The CAS number of Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate is 865199-29-7.
What is the molecular formula of Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
The molecular formula of Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate is C19H19N3O5S2.
What is the molecular weight of Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
The molecular weight of Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate is 433.08 g/mol.
Where can I buy Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
You can request a quote for Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-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-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.