methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate
TL;DR: methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate (CAS 866040-52-0) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-ylpropanoate
Also Known As: methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanoate, methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate, methyl 3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-ylpropanoate, 5W-0836, methyl 3-(2,5-dimethylpyrrol-1-yl)-3-(3-thienyl)propanoate
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 3.31894 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 508.4913 |
Chemical Identifiers
| CAS Number | 866040-52-0 |
|---|---|
| SMILES | CC1=CC=C(N1C(CC(=O)OC)C2=CSC=C2)C |
Product Overview
methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate (CAS 866040-52-0), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: methyl 3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-ylpropanoate.
Chemical Property Profile of methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate
Property Insights of methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate
The XLogP value of 3.31894 indicates that methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate has 0 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 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate?
The CAS number of methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate is 866040-52-0.
What is the molecular formula of methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate?
The molecular formula of methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate is C14H17NO2S.
What is the molecular weight of methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate?
The molecular weight of methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate is 263.10 g/mol.
Where can I buy methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate?
You can request a quote for methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-3-(3-thienyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.