2-Dibenzothiophenebutanoic acid
TL;DR: 2-Dibenzothiophenebutanoic acid (CAS 91034-92-3) is a chemical compound with molecular formula C16H14O2S and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dibenzothiophen-2-ylbutanoic acid
Also Known As: 2-Dibenzothiophenebutanoic acid, 4-dibenzothiophen-2-ylbutanoic acid, 2-DIBENZOTHIOPHENEBUTYRIC ACID, 4-(2-dibenzothienyl)butyric acid, 4-(dibenzo[b,d]thiophen-2-yl)butanoic acid
| Molecular Formula | C16H14O2S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.07144 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 91034-92-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)CCCC(=O)O |
| InChIKey | FMTLTRCPMNZQGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Dibenzothiophenebutanoic acid (CAS 91034-92-3), with molecular formula C16H14O2S and molecular weight 270.07 g/mol. IUPAC: 4-dibenzothiophen-2-ylbutanoic acid.
Chemical Property Profile of 2-Dibenzothiophenebutanoic acid
Property Insights of 2-Dibenzothiophenebutanoic acid
The XLogP value of 4.5 indicates that 2-Dibenzothiophenebutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Dibenzothiophenebutanoic acid. Following Lipinski's Rule of Five, 2-Dibenzothiophenebutanoic acid 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 2-Dibenzothiophenebutanoic acid?
The CAS number of 2-Dibenzothiophenebutanoic acid is 91034-92-3.
What is the molecular formula of 2-Dibenzothiophenebutanoic acid?
The molecular formula of 2-Dibenzothiophenebutanoic acid is C16H14O2S.
What is the molecular weight of 2-Dibenzothiophenebutanoic acid?
The molecular weight of 2-Dibenzothiophenebutanoic acid is 270.07 g/mol.
Where can I buy 2-Dibenzothiophenebutanoic acid?
You can request a quote for 2-Dibenzothiophenebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dibenzothiophenebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Dibenzothiophenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.