![(Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate structure](/static/products/887/887210-90-4.png)
(Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate
TL;DR: (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate (CAS 887210-90-4) is a chemical compound with molecular formula C18H15ClN4O7S2 and molecular weight 498.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(2-chloro-5-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Also Known As: (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate, F1366-3026, ethyl 2-[2-(2-chloro-5-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate, ethyl 2-[(2Z)-2-[(2-chloro-5-nitrobenzoyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Ethyl 2-[2-(2-chloro-5-nitro-benzoyl)imino-6-sulfamoyl-benzothiazol-3-yl]acetate
| Molecular Formula | C18H15ClN4O7S2 |
|---|---|
| Molecular Weight | 498.01 g/mol |
| LogP | 2.216 |
| Topological Polar Surface Area | 163.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.00708 |
| Heavy Atoms | 32 |
| Complexity | 1426.8412 |
Chemical Identifiers
| CAS Number | 887210-90-4 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
(Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate (CAS 887210-90-4), with molecular formula C18H15ClN4O7S2 and molecular weight 498.01 g/mol. IUPAC: ethyl 2-[2-(2-chloro-5-nitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate
Property Insights of (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate
The XLogP value of 2.216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate. The TPSA of 163.96 Ų indicates high polarity, suggesting (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate has 1 hydrogen bond donor(s) and 8 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 (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate?
The CAS number of (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate is 887210-90-4.
What is the molecular formula of (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate?
The molecular formula of (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate is C18H15ClN4O7S2.
What is the molecular weight of (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate?
The molecular weight of (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate is 498.01 g/mol.
Where can I buy (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate?
You can request a quote for (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-(2-((2-chloro-5-nitrobenzoyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.