ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847412-33-3) is a chemical compound with molecular formula C16H26N2O4 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dimethyl-4-(3-propan-2-yloxypropylcarbamoyl)-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, F0672-0065, ethyl 3,5-dimethyl-4-(3-propan-2-yloxypropylcarbamoyl)-1H-pyrrole-2-carboxylate, ethyl 4-{[(3-isopropoxypropyl)amino]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate, ETHYL 3,5-DIMETHYL-4-{[3-(PROPAN-2-YLOXY)PROPYL]CARBAMOYL}-1H-PYRROLE-2-CARBOXYLATE
| Molecular Formula | C16H26N2O4 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 2.35314 |
| Topological Polar Surface Area | 80.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.18927 |
| Heavy Atoms | 22 |
| Complexity | 520.46063 |
Chemical Identifiers
| CAS Number | 847412-33-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCCOC(C)C)C |
Product Overview
ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847412-33-3), with molecular formula C16H26N2O4 and molecular weight 310.19 g/mol. IUPAC: ethyl 3,5-dimethyl-4-(3-propan-2-yloxypropylcarbamoyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.35314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 80.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has 2 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 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 847412-33-3.
What is the molecular formula of ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C16H26N2O4.
What is the molecular weight of ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 310.19 g/mol.
Where can I buy ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-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 ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3-isopropoxypropyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.