2,7-Diethyl-1-benzothiophene
TL;DR: 2,7-Diethyl-1-benzothiophene (CAS 16587-45-4) is a chemical compound with molecular formula C12H14S and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-diethyl-1-benzothiophene
Also Known As: 2,7-Diethyl-1-benzothiophene, 2,7-Diethylbenzo[b]thiophene, Benzo[b]thiophene, 2,7-diethyl-, 2,7-Diethyl-1-benzothiophene #
| Molecular Formula | C12H14S |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.08162 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 16587-45-4 |
|---|---|
| SMILES | CCC1=CC=CC2=C1SC(=C2)CC |
| InChIKey | MJSFKUIPYUXCFK-UHFFFAOYSA-N |
Product Overview
2,7-Diethyl-1-benzothiophene (CAS 16587-45-4), with molecular formula C12H14S and molecular weight 190.08 g/mol. IUPAC: 2,7-diethyl-1-benzothiophene.
Chemical Property Profile of 2,7-Diethyl-1-benzothiophene
Property Insights of 2,7-Diethyl-1-benzothiophene
The XLogP value of 4.6 indicates that 2,7-Diethyl-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, 2,7-Diethyl-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Diethyl-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 2,7-Diethyl-1-benzothiophene?
The CAS number of 2,7-Diethyl-1-benzothiophene is 16587-45-4.
What is the molecular formula of 2,7-Diethyl-1-benzothiophene?
The molecular formula of 2,7-Diethyl-1-benzothiophene is C12H14S.
What is the molecular weight of 2,7-Diethyl-1-benzothiophene?
The molecular weight of 2,7-Diethyl-1-benzothiophene is 190.08 g/mol.
Where can I buy 2,7-Diethyl-1-benzothiophene?
You can request a quote for 2,7-Diethyl-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Diethyl-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Diethyl-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.