![[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate structure](/static/products/872/872211-74-0.png)
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate
TL;DR: [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate (CAS 872211-74-0) is a chemical compound with molecular formula C18H23N3O5S and molecular weight 393.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate, [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
| Molecular Formula | C18H23N3O5S |
|---|---|
| Molecular Weight | 393.14 g/mol |
| LogP | 1.89978 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.13583 |
| Heavy Atoms | 27 |
| Complexity | 853.9932 |
Chemical Identifiers
| CAS Number | 872211-74-0 |
|---|---|
| SMILES | CN(C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C)C2(CCCCC2)C#N |
Product Overview
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate (CAS 872211-74-0), with molecular formula C18H23N3O5S and molecular weight 393.14 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(methanesulfonamido)benzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate
Property Insights of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate
The XLogP value of 1.89978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate 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)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate?
The CAS number of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate is 872211-74-0.
What is the molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate?
The molecular formula of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate is C18H23N3O5S.
What is the molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate?
The molecular weight of [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate is 393.14 g/mol.
Where can I buy [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate?
You can request a quote for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate 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 2-methanesulfonamidobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 2-methanesulfonamidobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.