Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate
TL;DR: Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate (CAS 847462-55-9) is a chemical compound with molecular formula C17H28N2O4 and molecular weight 324.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate
Also Known As: ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate, ethyl 4-{[(3-isopropoxypropyl)amino]carbonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate, ethyl 1-methyl-3,5-dimethyl-4-(N-3-isopropoxypropylcarbamoyl)-2-pyrrolecarboxylate, ethyl 4-((3-isopropoxypropyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate, ETHYL 1,3,5-TRIMETHYL-4-{[3-(PROPAN-2-YLOXY)PROPYL]CARBAMOYL}-1H-PYRROLE-2-CARBOXYLATE
| Molecular Formula | C17H28N2O4 |
|---|---|
| Molecular Weight | 324.20 g/mol |
| LogP | 2.36354 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.2049 |
| Heavy Atoms | 23 |
| Complexity | 561.4299 |
Chemical Identifiers
| CAS Number | 847462-55-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCCCOC(C)C)C |
Product Overview
Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate (CAS 847462-55-9), with molecular formula C17H28N2O4 and molecular weight 324.20 g/mol. IUPAC: ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate
Property Insights of Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate
The XLogP value of 2.36354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-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 Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate?
The CAS number of Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate is 847462-55-9.
What is the molecular formula of Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate?
The molecular formula of Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate is C17H28N2O4.
What is the molecular weight of Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate?
The molecular weight of Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate is 324.20 g/mol.
Where can I buy Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate?
You can request a quote for Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)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 Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3,5-trimethyl-4-(3-propan-2-yloxypropylcarbamoyl)pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.