![methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate structure](/static/products/827/82782-85-2.png)
methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
TL;DR: methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS 82782-85-2) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
Also Known As: methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate, p-Tolylsilane, 8-Quinolinecarbonitrile, 4-methyl-, Methyl 4H-thieno[32-b]pyrrole-5-carboxylate, 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, methyl ester
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 2.016 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 386.78522 |
Chemical Identifiers
| CAS Number | 82782-85-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(N1)C=CS2 |
Product Overview
methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS 82782-85-2), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate.
Chemical Property Profile of methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
Property Insights of methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
The XLogP value of 2.016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate has 1 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 4H-thieno[3,2-b]pyrrole-5-carboxylate?
The CAS number of methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate is 82782-85-2.
What is the molecular formula of methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate?
The molecular formula of methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate is C8H7NO2S.
What is the molecular weight of methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate?
The molecular weight of methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate is 181.02 g/mol.
Where can I buy methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate?
You can request a quote for methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.