methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate (CAS 478249-17-1) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate, Bionet2_001107, methyl4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.4202 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 377.3705 |
Chemical Identifiers
| CAS Number | 478249-17-1 |
|---|---|
| SMILES | CCC(CC)C(=O)C1=CNC(=C1)C(=O)OC |
Product Overview
methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate (CAS 478249-17-1), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate
The XLogP value of 2.4202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate is 478249-17-1.
What is the molecular formula of methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate is C12H17NO3.
What is the molecular weight of methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate is 223.12 g/mol.
Where can I buy methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-(2-ethylbutanoyl)-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 methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.