Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
TL;DR: Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate (CAS 21603-70-3) 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.
ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
Also Known As: Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate, 3-(2-Ethoxycarbonylethyl)-2,4-dimethyl-5-formylpyrrole, 3- -2,4-DIMETHYL-5-FORMYLPYRROLE, 1H-Pyrrole-3-propanoicacid, 5-formyl-2,4-dimethyl-, ethyl ester, Ethyl 3-(2,4-dimethyl-5-formyl-1H-pyrrol-3-yl)propanoate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.93974 |
| 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 | 393.2133 |
Chemical Identifiers
| CAS Number | 21603-70-3 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(NC(=C1C)C=O)C |
Product Overview
Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate (CAS 21603-70-3), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate.
Chemical Property Profile of Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
Property Insights of Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
The XLogP value of 1.93974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate. With a topological polar surface area (TPSA) of 59.16 Ų, Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-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 Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate?
The CAS number of Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate is 21603-70-3.
What is the molecular formula of Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate?
The molecular formula of Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate is C12H17NO3.
What is the molecular weight of Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate?
The molecular weight of Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate is 223.12 g/mol.
Where can I buy Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate?
You can request a quote for Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.