CAS 522595-80-8 - C17H14BrNO3S2
TL;DR: CAS 522595-80-8 - C17H14BrNO3S2 (CAS 522595-80-8) is a chemical compound with molecular formula C17H14BrNO3S2 and molecular weight 422.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[5-[(4-bromophenoxy)methyl]furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-({5-[(4-bromophenoxy)methyl]-2-furyl}methylene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C17H14BrNO3S2 |
|---|---|
| Molecular Weight | 422.96 g/mol |
| LogP | 4.8422 |
| Topological Polar Surface Area | 42.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.95984 |
| Heavy Atoms | 24 |
| Complexity | 798.42194 |
Chemical Identifiers
| CAS Number | 522595-80-8 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CC=C(O2)COC3=CC=C(C=C3)Br)/SC1=S |
Product Overview
CAS 522595-80-8 - C17H14BrNO3S2 (CAS 522595-80-8), with molecular formula C17H14BrNO3S2 and molecular weight 422.96 g/mol. IUPAC: (5Z)-5-[[5-[(4-bromophenoxy)methyl]furan-2-yl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of CAS 522595-80-8 - C17H14BrNO3S2
Property Insights of CAS 522595-80-8 - C17H14BrNO3S2
The XLogP value of 4.8422 indicates that CAS 522595-80-8 - C17H14BrNO3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.68 Ų, CAS 522595-80-8 - C17H14BrNO3S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CAS 522595-80-8 - C17H14BrNO3S2 has 0 hydrogen bond donor(s) and 5 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 CAS 522595-80-8 - C17H14BrNO3S2?
The CAS number of CAS 522595-80-8 - C17H14BrNO3S2 is 522595-80-8.
What is the molecular formula of CAS 522595-80-8 - C17H14BrNO3S2?
The molecular formula of CAS 522595-80-8 - C17H14BrNO3S2 is C17H14BrNO3S2.
What is the molecular weight of CAS 522595-80-8 - C17H14BrNO3S2?
The molecular weight of CAS 522595-80-8 - C17H14BrNO3S2 is 422.96 g/mol.
Where can I buy CAS 522595-80-8 - C17H14BrNO3S2?
You can request a quote for CAS 522595-80-8 - C17H14BrNO3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 522595-80-8 - C17H14BrNO3S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 522595-80-8 - C17H14BrNO3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.