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9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one
TL;DR: 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one (CAS 23731-65-9) is a chemical compound with molecular formula C16H12OS and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dihydro-8H-naphtho[7,6-b][1]benzothiol-7-one
Also Known As: 9,10-dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one, 9,10-dihydro-8H-naphtho[7,6-b][1]benzothiol-7-one, EC-000.1746, 9,10-dihydronaphtho[2,3-b][1]benzothiophen-7(8H)-one, 9,10-Dihydro-8H-benzo[b]naphtho[2,3-d]thiophen-7-one
| Molecular Formula | C16H12OS |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.06088 |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 23731-65-9 |
|---|---|
| SMILES | C1CC2=CC3=C(C=C2C(=O)C1)SC4=CC=CC=C43 |
| InChIKey | MTZCPXOPDRAZMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one (CAS 23731-65-9), with molecular formula C16H12OS and molecular weight 252.06 g/mol. IUPAC: 9,10-dihydro-8H-naphtho[7,6-b][1]benzothiol-7-one.
Chemical Property Profile of 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one
Property Insights of 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one
The XLogP value of 4.4 indicates that 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one has 0 hydrogen bond donor(s) and 2 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 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one?
The CAS number of 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one is 23731-65-9.
What is the molecular formula of 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one?
The molecular formula of 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one is C16H12OS.
What is the molecular weight of 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one?
The molecular weight of 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one is 252.06 g/mol.
Where can I buy 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one?
You can request a quote for 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydrobenzo[b]naphtho[2,3-d]thiophen-7(8h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.