4-Bromodibenzothiophene
TL;DR: 4-Bromodibenzothiophene (CAS 97511-05-2) is a chemical compound with molecular formula C12H7BrS and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromodibenzothiophene
Also Known As: 4-Bromodibenzothiophene, 4-bromodibenzo[b,d]thiophene, Dibenzothiophene, 4-bromo-, Dibenzothiophene,4-bromo-, 4-BROMODIbenzo[b]thiophene
| Molecular Formula | C12H7BrS |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.9452 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 97511-05-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)Br |
| InChIKey | GJXAVNQWIVUQOD-UHFFFAOYSA-N |
Product Overview
4-Bromodibenzothiophene (CAS 97511-05-2), with molecular formula C12H7BrS and molecular weight 261.95 g/mol. IUPAC: 4-bromodibenzothiophene.
Chemical Property Profile of 4-Bromodibenzothiophene
Property Insights of 4-Bromodibenzothiophene
The XLogP value of 5.1 indicates that 4-Bromodibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 4-Bromodibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromodibenzothiophene 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 4-Bromodibenzothiophene?
The CAS number of 4-Bromodibenzothiophene is 97511-05-2.
What is the molecular formula of 4-Bromodibenzothiophene?
The molecular formula of 4-Bromodibenzothiophene is C12H7BrS.
What is the molecular weight of 4-Bromodibenzothiophene?
The molecular weight of 4-Bromodibenzothiophene is 261.95 g/mol.
Where can I buy 4-Bromodibenzothiophene?
You can request a quote for 4-Bromodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.