![[(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate structure](/static/products/876/876911-01-2.png)
[(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate
TL;DR: [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate (CAS 876911-01-2) is a chemical compound with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate|EN300-26687138
| Molecular Formula | C17H21N3O3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | 1.92418 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.1583 |
| Heavy Atoms | 23 |
| Complexity | 633.7539 |
Chemical Identifiers
| CAS Number | 876911-01-2 |
|---|---|
| SMILES | CN1C=CC=C1/C=C/C(=O)OCC(=O)NC2(CCCCC2)C#N |
Product Overview
[(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate (CAS 876911-01-2), with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate.
Chemical Property Profile of [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate
Property Insights of [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate
The XLogP value of 1.92418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate 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 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate?
The CAS number of [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate is 876911-01-2.
What is the molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate?
The molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate is C17H21N3O3.
What is the molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate?
The molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate is 315.16 g/mol.
Where can I buy [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate?
You can request a quote for [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate 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 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)carbamoyl]methyl 3-(1-methyl-1H-pyrrol-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.