methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
TL;DR: methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate (CAS 175201-81-7) 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.
methyl 4-cyano-3-pyrrol-1-ylthiophene-2-carboxylate
Also Known As: methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate, ARBANOL, Maybridge1_004508, methyl 4-cyano-3-pyrrol-1-ylthiophene-2-carboxylate, methyl 4-cyano-3-pyrrolylthiophene-2-carboxylate
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.19708 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 549.0467 |
Chemical Identifiers
| CAS Number | 175201-81-7 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CS1)C#N)N2C=CC=C2 |
Product Overview
methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate (CAS 175201-81-7), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: methyl 4-cyano-3-pyrrol-1-ylthiophene-2-carboxylate.
Chemical Property Profile of methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
Property Insights of methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
The XLogP value of 2.19708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 55.02 Ų, methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-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 methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The CAS number of methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is 175201-81-7.
What is the molecular formula of methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular formula of methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is C11H8N2O2S.
What is the molecular weight of methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular weight of methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is 232.03 g/mol.
Where can I buy methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
You can request a quote for methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-cyano-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.