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Benzo[b]thiophene, 3-(1-naphthalenyl)-
TL;DR: Benzo[b]thiophene, 3-(1-naphthalenyl)- (CAS 55712-59-9) is a chemical compound with molecular formula C18H12S and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-naphthalen-1-yl-1-benzothiophene
Also Known As: Benzo[b]thiophene, 3-(1-naphthalenyl)-, 3-naphthalen-1-yl-1-benzothiophene, 3-(1-Naphthyl)benzo[b]thiophene, 3-(1-Naphthyl)-1-benzothiophene, 3-(NAPHTHALEN-1-YL)-1-BENZOTHIOPHENE
| Molecular Formula | C18H12S |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.06598 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 55712-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=CSC4=CC=CC=C43 |
| InChIKey | CAGYGRIXMCDCLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[b]thiophene, 3-(1-naphthalenyl)- (CAS 55712-59-9), with molecular formula C18H12S and molecular weight 260.07 g/mol. IUPAC: 3-naphthalen-1-yl-1-benzothiophene.
Chemical Property Profile of Benzo[b]thiophene, 3-(1-naphthalenyl)-
Property Insights of Benzo[b]thiophene, 3-(1-naphthalenyl)-
The XLogP value of 5.8 indicates that Benzo[b]thiophene, 3-(1-naphthalenyl)- 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, 3-(1-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophene, 3-(1-naphthalenyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene, 3-(1-naphthalenyl)-?
The CAS number of Benzo[b]thiophene, 3-(1-naphthalenyl)- is 55712-59-9.
What is the molecular formula of Benzo[b]thiophene, 3-(1-naphthalenyl)-?
The molecular formula of Benzo[b]thiophene, 3-(1-naphthalenyl)- is C18H12S.
What is the molecular weight of Benzo[b]thiophene, 3-(1-naphthalenyl)-?
The molecular weight of Benzo[b]thiophene, 3-(1-naphthalenyl)- is 260.07 g/mol.
Where can I buy Benzo[b]thiophene, 3-(1-naphthalenyl)-?
You can request a quote for Benzo[b]thiophene, 3-(1-naphthalenyl)- 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, 3-(1-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene, 3-(1-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.