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6-bromo-2H-naphtho[1,8-bc]thiophen-2-one
TL;DR: 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one (CAS 20875-65-4) is a chemical compound with molecular formula C11H5BrOS and molecular weight 263.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one
Also Known As: 6-bromo-1-thia-2-acenaphthenone, 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one, 6-Bromo-naphtho[1,8-bc]thiophen-2-one, F1113-0003, 9-bromo-2-thiatricyclo[6.3.1.0?,??]dodeca-1(12),4,6,8,10-pentaen-3-one
| Molecular Formula | C11H5BrOS |
|---|---|
| Molecular Weight | 263.92 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.92444 |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 20875-65-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)S3)Br |
| InChIKey | XUXKRCALJDCYGF-UHFFFAOYSA-N |
Product Overview
6-bromo-2H-naphtho[1,8-bc]thiophen-2-one (CAS 20875-65-4), with molecular formula C11H5BrOS and molecular weight 263.92 g/mol. IUPAC: 9-bromo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one.
Chemical Property Profile of 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one
Property Insights of 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one
The XLogP value of 3.9 indicates that 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-2H-naphtho[1,8-bc]thiophen-2-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 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one?
The CAS number of 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one is 20875-65-4.
What is the molecular formula of 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one?
The molecular formula of 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one is C11H5BrOS.
What is the molecular weight of 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one?
The molecular weight of 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one is 263.92 g/mol.
Where can I buy 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one?
You can request a quote for 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-2H-naphtho[1,8-bc]thiophen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.