![[(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate structure](/static/products/100/1002060-31-2.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate (CAS 1002060-31-2) is a chemical compound with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate|EN300-26688434
| Molecular Formula | C17H17N3O3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 2.79578 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.09906 |
| Heavy Atoms | 24 |
| Complexity | 802.75885 |
Chemical Identifiers
| CAS Number | 1002060-31-2 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3 |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate (CAS 1002060-31-2), with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate
The XLogP value of 2.79578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate 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 [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate is 1002060-31-2.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate is C17H17N3O3S.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate is 343.10 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
You can request a quote for [(1-Cyanocyclohexyl)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)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.