![[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate structure](/static/products/876/876691-29-1.png)
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate
TL;DR: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate (CAS 876691-29-1) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.16 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-methylpyrrole-2-carboxylate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate|EN300-26680750
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 1.86678 |
| Topological Polar Surface Area | 75.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 594.02234 |
Chemical Identifiers
| CAS Number | 876691-29-1 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)OCC(=O)N(C)C2(CCCCC2)C#N |
Product Overview
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate (CAS 876691-29-1), with molecular formula C16H21N3O3 and molecular weight 303.16 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
Chemical Property Profile of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate
Property Insights of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.86678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate. The TPSA of 75.33 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate has 0 hydrogen bond donor(s) and 4 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-methyl-1H-pyrrole-2-carboxylate?
The CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate is 876691-29-1.
What is the molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate is C16H21N3O3.
What is the molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate is 303.16 g/mol.
Where can I buy [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-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-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 1-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.