![N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide structure](/static/products/5405/540512-86-5.webp)
N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
TL;DR: N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (CAS 540512-86-5) is a chemical compound with molecular formula C22H18N6O3S and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
Also Known As: N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide, N-(6-((4,5-dicyano-2-nitrophenyl)amino)benzo[d]thiazol-2-yl)cyclohexanecarboxamide, N-[6-(4,5-DICYANO-2-NITROANILINO)-1,3-BENZOTHIAZOL-2-YL]-1-CYCLOHEXANECARBOXAMIDE, N-[6-[(4,5-dicyano-2-nitro-phenyl)amino]benzothiazol-2-yl]cyclohexanecarboxamide, N-{6-[(4,5-dicyano-2-nitrophenyl)amino]-1,3-benzothiazol-2-yl}cyclohexanecarboxamide
| Molecular Formula | C22H18N6O3S |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 5.21026 |
| Topological Polar Surface Area | 144.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.11612 |
| Heavy Atoms | 32 |
| Complexity | 1297.4641 |
Chemical Identifiers
| CAS Number | 540512-86-5 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-] |
Product Overview
N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (CAS 540512-86-5), with molecular formula C22H18N6O3S and molecular weight 446.12 g/mol. IUPAC: N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.
Chemical Property Profile of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
Property Insights of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
The XLogP value of 5.21026 indicates that N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.74 Ų indicates high polarity, suggesting N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The CAS number of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is 540512-86-5.
What is the molecular formula of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The molecular formula of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is C22H18N6O3S.
What is the molecular weight of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The molecular weight of N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is 446.12 g/mol.
Where can I buy N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
You can request a quote for N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[6-(4,5-dicyano-2-nitroanilino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.