methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate
TL;DR: methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate (CAS 118465-49-9) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.01974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate
Also Known As: methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate, 4-Pyr-poly-3-ene, Methyl 6H-Thieno2,3-bpyrrole-5-carboxylate, methyl thiopheno[3,2-d]pyrrole-5-carboxylate, methyl6H-thieno[2,3-b]pyrrole-5-carboxylate
Technical Specifications
| Molecular Formula | C8H7NO2S |
| Molecular Weight | 181.01974 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.01974 Da |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
| SMILES | COC(=O)C1=CC2=C(N1)SC=C2 |
| InChIKey | YBIAQTPXONLBJG-UHFFFAOYSA-N |
Chemical Property Profile of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate
Property Insights of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate. Following Lipinski's Rule of Five, methyl 6H-thieno(2,3-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
What is the CAS number of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate?
The CAS number of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate is 118465-49-9.
What is the molecular formula of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate?
The molecular formula of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate is C8H7NO2S.
What is the molecular weight of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate?
The molecular weight of methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate is 181.01974 g/mol.
Where can I buy methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate?
You can request a quote for methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.