ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate (CAS 306280-74-0) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate
Also Known As: AB00587290-02, ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-(2-methyl(1,3-thiazol-4-yl))pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-(2-methylthiazol-4-yl)-1H-pyrrole-3-carboxylate, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-(2-methyl-4-thiazolyl)-, ethyl ester
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 306280-74-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)C)C |
| InChIKey | BYQXQKBNDFCLQQ-UHFFFAOYSA-N |
Product Overview
ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate (CAS 306280-74-0), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate has 1 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 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate is 306280-74-0.
What is the molecular formula of ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate is C13H16N2O2S.
What is the molecular weight of ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate is 264.09 g/mol.
Where can I buy ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-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 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,4-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.