![Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester structure](/static/products/1187/118743-12-7.webp)
Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester
TL;DR: Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester (CAS 118743-12-7) is a chemical compound with molecular formula C12H12O2S and molecular weight 220.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5-methyl-1-benzothiophen-3-yl)acetate
Also Known As: Maybridge3_004329, Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester, methyl 2-(5-methyl-1-benzothiophen-3-yl)acetate, IDI1_015716, methyl-5-methylbenzothiophene-3-acetate
Technical Specifications
| Molecular Formula | C12H12O2S |
| Molecular Weight | 220.0558 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0558 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CC1=CC2=C(C=C1)SC=C2CC(=O)OC |
| InChIKey | ZXKVFSLMPZWEKJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester
Property Insights of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester
The XLogP value of 3.1 indicates that Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester?
The CAS number of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester is 118743-12-7.
What is the molecular formula of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester?
The molecular formula of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester is C12H12O2S.
What is the molecular weight of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester?
The molecular weight of Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester is 220.0558 g/mol.
Where can I buy Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester?
You can request a quote for Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzo[b]thiophene-3-acetic acid, 5-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.