2,5,7-Trimethyl-1-benzothiophene
TL;DR: 2,5,7-Trimethyl-1-benzothiophene (CAS 16587-65-8) is a chemical compound with molecular formula C11H12S and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,7-trimethyl-1-benzothiophene
Also Known As: 2,5,7-Trimethyl-1-benzothiophene, 2,5,7-Trimethylbenzo[b]thiophene, 2,5,7-TRIMETHYLBENZOTHIOPHENE, Benzo[b]thiophene, 2,5,7-trimethyl-, 2,5,7-trimethyl benzothiophene
| Molecular Formula | C11H12S |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.06598 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 16587-65-8 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C=C(S2)C)C |
| InChIKey | PNEAISMECMOVFA-UHFFFAOYSA-N |
Product Overview
2,5,7-Trimethyl-1-benzothiophene (CAS 16587-65-8), with molecular formula C11H12S and molecular weight 176.07 g/mol. IUPAC: 2,5,7-trimethyl-1-benzothiophene.
Chemical Property Profile of 2,5,7-Trimethyl-1-benzothiophene
Property Insights of 2,5,7-Trimethyl-1-benzothiophene
The XLogP value of 4.1 indicates that 2,5,7-Trimethyl-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2,5,7-Trimethyl-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,7-Trimethyl-1-benzothiophene has 0 hydrogen bond donor(s) and 1 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 2,5,7-Trimethyl-1-benzothiophene?
The CAS number of 2,5,7-Trimethyl-1-benzothiophene is 16587-65-8.
What is the molecular formula of 2,5,7-Trimethyl-1-benzothiophene?
The molecular formula of 2,5,7-Trimethyl-1-benzothiophene is C11H12S.
What is the molecular weight of 2,5,7-Trimethyl-1-benzothiophene?
The molecular weight of 2,5,7-Trimethyl-1-benzothiophene is 176.07 g/mol.
Where can I buy 2,5,7-Trimethyl-1-benzothiophene?
You can request a quote for 2,5,7-Trimethyl-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,7-Trimethyl-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,5,7-Trimethyl-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.