ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate (CAS 175276-54-7) is a chemical compound with molecular formula C15H17NO3S and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-formyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
Also Known As: ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate, 5799AD, Ethyl 4-formyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxylate, ethyl 4-formyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate, I14-34853
| Molecular Formula | C15H17NO3S |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 3.20394 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09293 |
| Heavy Atoms | 20 |
| Complexity | 626.0845 |
Chemical Identifiers
| CAS Number | 175276-54-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=CS2)C |
Product Overview
ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate (CAS 175276-54-7), with molecular formula C15H17NO3S and molecular weight 291.09 g/mol. IUPAC: ethyl 4-formyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.20394 indicates that ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate has 0 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-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate is 175276-54-7.
What is the molecular formula of ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate is C15H17NO3S.
What is the molecular weight of ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate is 291.09 g/mol.
Where can I buy ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-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-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-formyl-2,5-dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.