![[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate structure](/static/products/801/801236-27-1.png)
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
TL;DR: [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CAS 801236-27-1) is a chemical compound with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
Also Known As: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate|2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl 1-methyl-1H-pyrrole-2-carboxylate|MLS002251955|SMR000838755|cid_4003315|[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate|1-methyl-2-pyrrolecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester|1-methylpyrrole-2-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester
| Molecular Formula | C13H11N3O3S |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 1.75378 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.05212 |
| Heavy Atoms | 20 |
| Complexity | 681.0929 |
Chemical Identifiers
| CAS Number | 801236-27-1 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N |
Product Overview
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CAS 801236-27-1), with molecular formula C13H11N3O3S and molecular weight 289.05 g/mol. IUPAC: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
Chemical Property Profile of [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
Property Insights of [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
The XLogP value of 1.75378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate. Following Lipinski's Rule of Five, [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has 1 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 [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The CAS number of [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is 801236-27-1.
What is the molecular formula of [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The molecular formula of [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is C13H11N3O3S.
What is the molecular weight of [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The molecular weight of [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is 289.05 g/mol.
Where can I buy [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
You can request a quote for [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.