CAS 392246-28-5 - C22H16Br2N2OS2
TL;DR: CAS 392246-28-5 - C22H16Br2N2OS2 (CAS 392246-28-5) is a chemical compound with molecular formula C22H16Br2N2OS2 and molecular weight 545.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4,6-dibromophenol
Also Known As: 2-[(1E)-{[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl]-4,6-dibromophenol
| Molecular Formula | C22H16Br2N2OS2 |
|---|---|
| Molecular Weight | 545.91 g/mol |
| LogP | 7.8848 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.9071 |
| Heavy Atoms | 29 |
| Complexity | 1226.4165 |
Chemical Identifiers
| CAS Number | 392246-28-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=C(C(=CC(=C3)Br)Br)O)C4=NC5=CC=CC=C5S4 |
Product Overview
CAS 392246-28-5 - C22H16Br2N2OS2 (CAS 392246-28-5), with molecular formula C22H16Br2N2OS2 and molecular weight 545.91 g/mol. IUPAC: 2-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4,6-dibromophenol.
Chemical Property Profile of CAS 392246-28-5 - C22H16Br2N2OS2
Property Insights of CAS 392246-28-5 - C22H16Br2N2OS2
The XLogP value of 7.8848 indicates that CAS 392246-28-5 - C22H16Br2N2OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.48 Ų, CAS 392246-28-5 - C22H16Br2N2OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CAS 392246-28-5 - C22H16Br2N2OS2 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 392246-28-5 - C22H16Br2N2OS2?
The CAS number of CAS 392246-28-5 - C22H16Br2N2OS2 is 392246-28-5.
What is the molecular formula of CAS 392246-28-5 - C22H16Br2N2OS2?
The molecular formula of CAS 392246-28-5 - C22H16Br2N2OS2 is C22H16Br2N2OS2.
What is the molecular weight of CAS 392246-28-5 - C22H16Br2N2OS2?
The molecular weight of CAS 392246-28-5 - C22H16Br2N2OS2 is 545.91 g/mol.
Where can I buy CAS 392246-28-5 - C22H16Br2N2OS2?
You can request a quote for CAS 392246-28-5 - C22H16Br2N2OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 392246-28-5 - C22H16Br2N2OS2?
Yes, KEHONG BIO provides custom synthesis services for CAS 392246-28-5 - C22H16Br2N2OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.