![[(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate structure](/static/products/873/873951-68-9.png)
[(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate
TL;DR: [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate (CAS 873951-68-9) is a chemical compound with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate|EN300-26688646
| Molecular Formula | C23H27N3O3 |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 3.90204 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.20523 |
| Heavy Atoms | 29 |
| Complexity | 944.98303 |
Chemical Identifiers
| CAS Number | 873951-68-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)NC3(CCCCC3)C#N)C |
Product Overview
[(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate (CAS 873951-68-9), with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate.
Chemical Property Profile of [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Property Insights of [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.90204 indicates that [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate has 1 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)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
The CAS number of [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate is 873951-68-9.
What is the molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
The molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate is C23H27N3O3.
What is the molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
The molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate is 393.21 g/mol.
Where can I buy [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
You can request a quote for [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-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 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)carbamoyl]methyl 2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.