![1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid structure](/static/products/5715/57156-87-3.webp)
1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid
TL;DR: 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid (CAS 57156-87-3) is a chemical compound with molecular formula C14H14O4S and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-2a,7b-dihydrocyclobuta[b][1]benzothiole-1,2-dicarboxylic acid
Also Known As: 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid, 1,2-Dimethyl-1,2,2a,7b-tetrahydrocyclobuta[b][1]benzothiophene-1,2-dicarboxylic acid, 1,2-dimethyl-2a,7b-dihydrocyclobuta[b][1]benzothiole-1,2-dicarboxylic acid, 1,2-Dimethyl-1,2,2a,7b-tetrahydrocyclobuta[b][1]benzothiophene-1,2-dicarboxylic acid #, 3,4-dimethyl-6-thiatricyclo[5.4.0.02,5]undeca-1(11),7,9-triene-3,4-dicarboxylic acid
| Molecular Formula | C14H14O4S |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.06128 |
| Heavy Atoms | 19 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 57156-87-3 |
|---|---|
| SMILES | CC1(C2C(C1(C)C(=O)O)SC3=CC=CC=C23)C(=O)O |
| InChIKey | IEVMDLWXSYWPQL-UHFFFAOYSA-N |
Product Overview
1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid (CAS 57156-87-3), with molecular formula C14H14O4S and molecular weight 278.06 g/mol. IUPAC: 1,2-dimethyl-2a,7b-dihydrocyclobuta[b][1]benzothiole-1,2-dicarboxylic acid.
Chemical Property Profile of 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid
Property Insights of 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid has 2 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 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid?
The CAS number of 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid is 57156-87-3.
What is the molecular formula of 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid?
The molecular formula of 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid is C14H14O4S.
What is the molecular weight of 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid?
The molecular weight of 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid is 278.06 g/mol.
Where can I buy 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid?
You can request a quote for 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,2a,7b-Tetrahydro-1,2-dimethylbenzo[b]cyclobuta[d]thiophene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.