![4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide structure](/static/products/3259/325988-41-8.webp)
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
TL;DR: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 325988-41-8) is a chemical compound with molecular formula C21H18N6O6S2 and molecular weight 514.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
Also Known As: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide, F0289-0156, 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-benzothiazol-2-yl)benzamide
| Molecular Formula | C21H18N6O6S2 |
|---|---|
| Molecular Weight | 514.07 g/mol |
| LogP | 3.28346 |
| Topological Polar Surface Area | 179.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.07294 |
| Heavy Atoms | 35 |
| Complexity | 1436.4219 |
Chemical Identifiers
| CAS Number | 325988-41-8 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 325988-41-8), with molecular formula C21H18N6O6S2 and molecular weight 514.07 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
Property Insights of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
The XLogP value of 3.28346 indicates that 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.32 Ų indicates high polarity, suggesting 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
The CAS number of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is 325988-41-8.
What is the molecular formula of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular formula of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is C21H18N6O6S2.
What is the molecular weight of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular weight of 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is 514.07 g/mol.
Where can I buy 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
You can request a quote for 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.