cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate
TL;DR: cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate (CAS 551920-76-4) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 3-pyrrol-1-ylthiophene-2-carboxylate
Also Known As: cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate, cyanomethyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate, cyanomethyl 3-pyrrol-1-ylthiophene-2-carboxylate, cyanomethyl3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.21918 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 522.427 |
Chemical Identifiers
| CAS Number | 551920-76-4 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC#N |
Product Overview
cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate (CAS 551920-76-4), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: cyanomethyl 3-pyrrol-1-ylthiophene-2-carboxylate.
Chemical Property Profile of cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate
Property Insights of cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate
The XLogP value of 2.21918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 55.02 Ų, cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate 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 cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate?
The CAS number of cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate is 551920-76-4.
What is the molecular formula of cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate?
The molecular formula of cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate is C11H8N2O2S.
What is the molecular weight of cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate?
The molecular weight of cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate is 232.03 g/mol.
Where can I buy cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate?
You can request a quote for cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for cyanomethyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.