(2,5-Dimethyl-1-benzothien-3-yl)acetic acid
TL;DR: (2,5-Dimethyl-1-benzothien-3-yl)acetic acid (CAS 6179-14-2) is a chemical compound with molecular formula C12H12O2S and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethyl-1-benzothiophen-3-yl)acetic acid
Also Known As: (2,5-Dimethyl-1-benzothien-3-yl)acetic acid, 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetic acid, (2,5-Dimethylbenzo(b)thien-3-yl)acetic acid, (2,5-DIMETHYL-1-BENZOTHIOPHEN-3-YL)ACETIC ACID, 2,5-Dimethylbenzo[b]thiophene-3-acetic acid
| Molecular Formula | C12H12O2S |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0558 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 6179-14-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=C2CC(=O)O)C |
| InChIKey | PPQSTBXLLLHYPC-UHFFFAOYSA-N |
Product Overview
(2,5-Dimethyl-1-benzothien-3-yl)acetic acid (CAS 6179-14-2), with molecular formula C12H12O2S and molecular weight 220.06 g/mol. IUPAC: 2-(2,5-dimethyl-1-benzothiophen-3-yl)acetic acid.
Chemical Property Profile of (2,5-Dimethyl-1-benzothien-3-yl)acetic acid
Property Insights of (2,5-Dimethyl-1-benzothien-3-yl)acetic acid
The XLogP value of 3.2 indicates that (2,5-Dimethyl-1-benzothien-3-yl)acetic 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 (2,5-Dimethyl-1-benzothien-3-yl)acetic acid. Following Lipinski's Rule of Five, (2,5-Dimethyl-1-benzothien-3-yl)acetic 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 (2,5-Dimethyl-1-benzothien-3-yl)acetic acid?
The CAS number of (2,5-Dimethyl-1-benzothien-3-yl)acetic acid is 6179-14-2.
What is the molecular formula of (2,5-Dimethyl-1-benzothien-3-yl)acetic acid?
The molecular formula of (2,5-Dimethyl-1-benzothien-3-yl)acetic acid is C12H12O2S.
What is the molecular weight of (2,5-Dimethyl-1-benzothien-3-yl)acetic acid?
The molecular weight of (2,5-Dimethyl-1-benzothien-3-yl)acetic acid is 220.06 g/mol.
Where can I buy (2,5-Dimethyl-1-benzothien-3-yl)acetic acid?
You can request a quote for (2,5-Dimethyl-1-benzothien-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-Dimethyl-1-benzothien-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Dimethyl-1-benzothien-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.