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Benzo[b]thiophene, 2,3-diethyl-
TL;DR: Benzo[b]thiophene, 2,3-diethyl- (CAS 54789-20-7) 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.
2,3-diethyl-1-benzothiophene
Also Known As: diethylbenzothiophene, 2,3-Diethylbenzo[b]thiophene, 2,3-Diethyl-1-benzothiophene, Benzo[b]thiophene, 2,3-diethyl-, 2,3-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 | 54789-20-7 |
|---|---|
| SMILES | CCC1=C(SC2=CC=CC=C21)CC |
| InChIKey | HJLFFOFIJTWBAA-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophene, 2,3-diethyl- (CAS 54789-20-7), with molecular formula C12H14S and molecular weight 190.08 g/mol. IUPAC: 2,3-diethyl-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 2,3-diethyl-
Property Insights of Benzo[b]thiophene, 2,3-diethyl-
The XLogP value of 4.6 indicates that Benzo[b]thiophene, 2,3-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Benzo[b]thiophene, 2,3-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 2,3-diethyl- 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 Benzo[b]thiophene, 2,3-diethyl-?
The CAS number of Benzo[b]thiophene, 2,3-diethyl- is 54789-20-7.
What is the molecular formula of Benzo[b]thiophene, 2,3-diethyl-?
The molecular formula of Benzo[b]thiophene, 2,3-diethyl- is C12H14S.
What is the molecular weight of Benzo[b]thiophene, 2,3-diethyl-?
The molecular weight of Benzo[b]thiophene, 2,3-diethyl- is 190.08 g/mol.
Where can I buy Benzo[b]thiophene, 2,3-diethyl-?
You can request a quote for Benzo[b]thiophene, 2,3-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene, 2,3-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 2,3-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.