![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate structure](/static/products/100/1002061-01-9.png)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate (CAS 1002061-01-9) is a chemical compound with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate|EN300-26681209
| Molecular Formula | C18H19N3O3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.13798 |
| Topological Polar Surface Area | 83.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.11472 |
| Heavy Atoms | 25 |
| Complexity | 833.44904 |
Chemical Identifiers
| CAS Number | 1002061-01-9 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC2=C(C=C1)N=CS2)C3(CCCCC3)C#N |
Product Overview
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate (CAS 1002061-01-9), with molecular formula C18H19N3O3S and molecular weight 357.11 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate
The XLogP value of 3.13798 indicates that [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate has 0 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 [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate is 1002061-01-9.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate is C18H19N3O3S.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate is 357.11 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.