Dimethyl 1-benzothiophene-2,3-dicarboxylate
TL;DR: Dimethyl 1-benzothiophene-2,3-dicarboxylate (CAS 41892-84-6) 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-2,3-dicarboxylate
Also Known As: di-t-butyl benzylmalonate, ChemDiv2_002894, dimethyl 1-benzothiophene-2,3-dicarboxylate, Dimethyl benzo[b]thiophene-2,3-dicarboxylate, J3.012.979B
| Molecular Formula | C12H10O4S |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 2.4745 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.02998 |
| Heavy Atoms | 17 |
| Complexity | 585.2032 |
Chemical Identifiers
| CAS Number | 41892-84-6 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=CC=CC=C21)C(=O)OC |
Product Overview
Dimethyl 1-benzothiophene-2,3-dicarboxylate (CAS 41892-84-6), with molecular formula C12H10O4S and molecular weight 250.03 g/mol. IUPAC: dimethyl 1-benzothiophene-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl 1-benzothiophene-2,3-dicarboxylate
Property Insights of Dimethyl 1-benzothiophene-2,3-dicarboxylate
The XLogP value of 2.4745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-benzothiophene-2,3-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 1-benzothiophene-2,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 1-benzothiophene-2,3-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-2,3-dicarboxylate?
The CAS number of Dimethyl 1-benzothiophene-2,3-dicarboxylate is 41892-84-6.
What is the molecular formula of Dimethyl 1-benzothiophene-2,3-dicarboxylate?
The molecular formula of Dimethyl 1-benzothiophene-2,3-dicarboxylate is C12H10O4S.
What is the molecular weight of Dimethyl 1-benzothiophene-2,3-dicarboxylate?
The molecular weight of Dimethyl 1-benzothiophene-2,3-dicarboxylate is 250.03 g/mol.
Where can I buy Dimethyl 1-benzothiophene-2,3-dicarboxylate?
You can request a quote for Dimethyl 1-benzothiophene-2,3-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-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-benzothiophene-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.