2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid
TL;DR: 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid (CAS 54585-29-4) is a chemical compound with molecular formula C16H14O3S and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dibenzothiophen-2-yloxy-2-methylpropanoic acid
Also Known As: 2-(dibenzo[b,d]thien-2-yloxy)-2-methylpropanoic acid, 2-dibenzothiophen-2-yloxy-2-methylpropanoic acid, AI-942/13332048, 2-(2-dibenzothiophenyloxy)-2-methylpropanoic acid, 2-dibenzothiophen-2-yloxy-2-methyl-propanoic acid
| Molecular Formula | C16H14O3S |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 4.2965 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.06638 |
| Heavy Atoms | 20 |
| Complexity | 801.6983 |
Chemical Identifiers
| CAS Number | 54585-29-4 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC1=CC2=C(C=C1)SC3=CC=CC=C32 |
Product Overview
2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid (CAS 54585-29-4), with molecular formula C16H14O3S and molecular weight 286.07 g/mol. IUPAC: 2-dibenzothiophen-2-yloxy-2-methylpropanoic acid.
Chemical Property Profile of 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid
Property Insights of 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid
The XLogP value of 4.2965 indicates that 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dibenzothiophen-2-yloxy-2-methylpropanoic 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-Dibenzothiophen-2-yloxy-2-methylpropanoic acid?
The CAS number of 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid is 54585-29-4.
What is the molecular formula of 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid?
The molecular formula of 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid is C16H14O3S.
What is the molecular weight of 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid?
The molecular weight of 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid is 286.07 g/mol.
Where can I buy 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid?
You can request a quote for 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Dibenzothiophen-2-yloxy-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.