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 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| 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 | 118465-49-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(N1)SC=C2 |
Product Overview
methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate (CAS 118465-49-9), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate.
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 2.016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 181.02 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6H-thieno(2,3-b)pyrrole-5-carboxylate?
Yes, KEHONG BIO 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.