Dimethyl 1-benzothiophene-2,5-dicarboxylate
TL;DR: Dimethyl 1-benzothiophene-2,5-dicarboxylate (CAS 7345-76-8) is a chemical compound with molecular formula C12H10O4S and molecular weight 250.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-benzothiophene-2,5-dicarboxylate
Also Known As: Dimethyl 1-benzothiophene-2,5-dicarboxylate, dimethyl benzo[b]thiophene-2,5-dicarboxylate, Dimethyl1-benzothiophene-2,5-dicarboxylate, dimethylbenzo[b]thiophene-2,5-dicarboxylate, Dimethyl benzo(b)thiophene-2,5-dicarboxylate
| Molecular Formula | C12H10O4S |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.02998 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 7345-76-8 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)SC(=C2)C(=O)OC |
| InChIKey | XHEKZPXGTIMGQC-UHFFFAOYSA-N |
Product Overview
Dimethyl 1-benzothiophene-2,5-dicarboxylate (CAS 7345-76-8), with molecular formula C12H10O4S and molecular weight 250.03 g/mol. IUPAC: dimethyl 1-benzothiophene-2,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1-benzothiophene-2,5-dicarboxylate
Property Insights of Dimethyl 1-benzothiophene-2,5-dicarboxylate
The XLogP value of 3.0 indicates that Dimethyl 1-benzothiophene-2,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-benzothiophene-2,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-benzothiophene-2,5-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 Dimethyl 1-benzothiophene-2,5-dicarboxylate?
The CAS number of Dimethyl 1-benzothiophene-2,5-dicarboxylate is 7345-76-8.
What is the molecular formula of Dimethyl 1-benzothiophene-2,5-dicarboxylate?
The molecular formula of Dimethyl 1-benzothiophene-2,5-dicarboxylate is C12H10O4S.
What is the molecular weight of Dimethyl 1-benzothiophene-2,5-dicarboxylate?
The molecular weight of Dimethyl 1-benzothiophene-2,5-dicarboxylate is 250.03 g/mol.
Where can I buy Dimethyl 1-benzothiophene-2,5-dicarboxylate?
You can request a quote for Dimethyl 1-benzothiophene-2,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1-benzothiophene-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-benzothiophene-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.