methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
TL;DR: methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate (CAS 74772-16-0) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyrrol-1-ylthiophene-2-carboxylate
Also Known As: methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate, Methyl 3-(1-pyrrolo)thiophene-2-carboxylate, Maybridge1_003307, ChemDiv2_003092, Methyl 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylate
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 74772-16-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=CC=C2 |
| InChIKey | FYNQCKPHPLFYDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate (CAS 74772-16-0), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: methyl 3-pyrrol-1-ylthiophene-2-carboxylate.
Chemical Property Profile of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
Property Insights of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 59.5 Ų, methyl 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 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The CAS number of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is 74772-16-0.
What is the molecular formula of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular formula of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is C10H9NO2S.
What is the molecular weight of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
The molecular weight of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate is 207.04 g/mol.
Where can I buy methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
You can request a quote for methyl 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 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.