Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate
TL;DR: Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate (CAS 887207-69-4) is a chemical compound with molecular formula C13H15N3O5S2 and molecular weight 357.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate
Also Known As: F1366-1275, methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate, methyl 2-[(2Z)-2-(propanoylimino)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-methyl 2-(2-(propionylimino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate
| Molecular Formula | C13H15N3O5S2 |
|---|---|
| Molecular Weight | 357.05 g/mol |
| LogP | 0.3605 |
| Topological Polar Surface Area | 120.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.04532 |
| Heavy Atoms | 23 |
| Complexity | 940.16095 |
Chemical Identifiers
| CAS Number | 887207-69-4 |
|---|---|
| SMILES | CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CC(=O)OC |
Product Overview
Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate (CAS 887207-69-4), with molecular formula C13H15N3O5S2 and molecular weight 357.05 g/mol. IUPAC: methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate.
Chemical Property Profile of Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate
Property Insights of Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate
The XLogP value of 0.3605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-propanoylimino-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-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(2-propanoylimino-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-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate?
The CAS number of Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate is 887207-69-4.
What is the molecular formula of Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate?
The molecular formula of Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate is C13H15N3O5S2.
What is the molecular weight of Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate?
The molecular weight of Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate is 357.05 g/mol.
Where can I buy Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate?
You can request a quote for Methyl 2-(2-propanoylimino-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-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.