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Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate
TL;DR: Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate (CAS 694458-11-2) is a chemical compound with molecular formula C12H8O2S2 and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl thieno[3,2-b][1]benzothiole-2-carboxylate
Also Known As: ChemDiv3_005867, IDI1_023777, J2.577.769G, methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate, methyl thieno[3,2-b][1]benzothiophene-2-carboxylate
| Molecular Formula | C12H8O2S2 |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 3.9026 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.99657 |
| Heavy Atoms | 16 |
| Complexity | 678.51105 |
Chemical Identifiers
| CAS Number | 694458-11-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(S1)C3=CC=CC=C3S2 |
Product Overview
Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate (CAS 694458-11-2), with molecular formula C12H8O2S2 and molecular weight 248.00 g/mol. IUPAC: methyl thieno[3,2-b][1]benzothiole-2-carboxylate.
Chemical Property Profile of Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate
Property Insights of Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate
The XLogP value of 3.9026 indicates that Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl benzo[b]thieno[2,3-d]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 benzo[b]thieno[2,3-d]thiophene-2-carboxylate?
The CAS number of Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate is 694458-11-2.
What is the molecular formula of Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate?
The molecular formula of Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate is C12H8O2S2.
What is the molecular weight of Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate?
The molecular weight of Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate is 248.00 g/mol.
Where can I buy Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate?
You can request a quote for Methyl benzo[b]thieno[2,3-d]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 benzo[b]thieno[2,3-d]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzo[b]thieno[2,3-d]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.