(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate
TL;DR: (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate (CAS 23964-29-6) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate
Also Known As: 3-Acetyl-2,4-dimethyl-5-carbethoxypyrrole, 4-acetyl-3,5-dimethyl-1h-pyrrol-2-yl propanoate, 3-Acetyl-2,4-Dimethyl-5-(Ethoxycarbonyl)Pyrrole, ethyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate, (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 23964-29-6 |
|---|---|
| SMILES | CCC(=O)OC1=C(C(=C(N1)C)C(=O)C)C |
| InChIKey | YODFTKDGPPLRFR-UHFFFAOYSA-N |
Product Overview
(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate (CAS 23964-29-6), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate.
Chemical Property Profile of (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate
Property Insights of (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate. With a topological polar surface area (TPSA) of 59.2 Ų, (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate 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 (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate?
The CAS number of (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate is 23964-29-6.
What is the molecular formula of (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate?
The molecular formula of (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate is C11H15NO3.
What is the molecular weight of (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate?
The molecular weight of (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate is 209.11 g/mol.
Where can I buy (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate?
You can request a quote for (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.