ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 372091-54-8) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethylpyrrole-3-carboxylate
Also Known As: ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate, ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethylpyrrole-3-carboxylate, ethyl 1-(benzo[c][1,2,5]thiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.27554 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 819.5481 |
Chemical Identifiers
| CAS Number | 372091-54-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C)C2=CC=CC3=NSN=C32)C |
Product Overview
ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 372091-54-8), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 3.27554 indicates that ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-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 57.01 Ų, ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 372091-54-8.
What is the molecular formula of ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is C15H15N3O2S.
What is the molecular weight of ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is 301.09 g/mol.
Where can I buy ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-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 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(2,1,3-benzothiadiazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.