8-Bromo-4-cinnolinethiol
TL;DR: 8-Bromo-4-cinnolinethiol (CAS 876-77-7) is a chemical compound with molecular formula C8H5BrN2S and molecular weight 239.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1H-cinnoline-4-thione
Also Known As: 8-Bromo-4-cinnolinethiol, 8-bromocinnoline-4-thiol, 8-bromo-1H-cinnoline-4-thione, 4-Cinnolinethiol, 8-bromo-, 8-Bromocinnoline-4(1H)-thione
| Molecular Formula | C8H5BrN2S |
|---|---|
| Molecular Weight | 239.94 g/mol |
| LogP | 3.05489 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.93568 |
| Heavy Atoms | 12 |
| Complexity | 477.6867 |
Chemical Identifiers
| CAS Number | 876-77-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Br)NN=CC2=S |
Product Overview
8-Bromo-4-cinnolinethiol (CAS 876-77-7), with molecular formula C8H5BrN2S and molecular weight 239.94 g/mol. IUPAC: 8-bromo-1H-cinnoline-4-thione.
Chemical Property Profile of 8-Bromo-4-cinnolinethiol
Property Insights of 8-Bromo-4-cinnolinethiol
The XLogP value of 3.05489 indicates that 8-Bromo-4-cinnolinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 8-Bromo-4-cinnolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Bromo-4-cinnolinethiol has 1 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 8-Bromo-4-cinnolinethiol?
The CAS number of 8-Bromo-4-cinnolinethiol is 876-77-7.
What is the molecular formula of 8-Bromo-4-cinnolinethiol?
The molecular formula of 8-Bromo-4-cinnolinethiol is C8H5BrN2S.
What is the molecular weight of 8-Bromo-4-cinnolinethiol?
The molecular weight of 8-Bromo-4-cinnolinethiol is 239.94 g/mol.
Where can I buy 8-Bromo-4-cinnolinethiol?
You can request a quote for 8-Bromo-4-cinnolinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromo-4-cinnolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-4-cinnolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.