![2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE structure](/static/products/100/1001768-51-9.png)
2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
TL;DR: 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE (CAS 1001768-51-9) is a chemical compound with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE, 2-O-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C18H23N3O5 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 1.91762 |
| Topological Polar Surface Area | 121.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.16376 |
| Heavy Atoms | 26 |
| Complexity | 753.6115 |
Chemical Identifiers
| CAS Number | 1001768-51-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2(CCCC2)C#N)C |
Product Overview
2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE (CAS 1001768-51-9), with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol. IUPAC: 2-O-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
Property Insights of 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
The XLogP value of 1.91762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE. The TPSA of 121.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE. Following Lipinski's Rule of Five, 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE has 2 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 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE?
The CAS number of 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE is 1001768-51-9.
What is the molecular formula of 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE?
The molecular formula of 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE is C18H23N3O5.
What is the molecular weight of 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE?
The molecular weight of 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE is 361.16 g/mol.
Where can I buy 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE?
You can request a quote for 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-CYANOCYCLOPENTYL)CARBAMOYL]METHYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.