4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮
TL;DR: 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 (CAS 42574-14-1) is a chemical compound with molecular formula C9H5BrOS2 and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮
4-(4-bromophenyl)-1,3-dithiol-2-one
Also Known As: 4-(4-bromophenyl)-1,3-dithiol-2-one, 4-(4-bromophenyl)-2H-1,3-dithiol-2-one, J2.529.811J
| Molecular Formula | C9H5BrOS2 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.8965 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 42574-14-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=O)S2)Br |
| InChIKey | TUXGPCOOJPVSRW-UHFFFAOYSA-N |
Product Overview
4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 (CAS 42574-14-1), with molecular formula C9H5BrOS2 and molecular weight 271.90 g/mol. IUPAC: 4-(4-bromophenyl)-1,3-dithiol-2-one.
Chemical Property Profile of 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮
Property Insights of 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮
The XLogP value of 3.7 indicates that 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮. Following Lipinski's Rule of Five, 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 has 0 hydrogen bond donor(s) and 3 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 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮?
The CAS number of 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 is 42574-14-1.
What is the molecular formula of 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮?
The molecular formula of 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 is C9H5BrOS2.
What is the molecular weight of 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮?
The molecular weight of 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 is 271.90 g/mol.
Where can I buy 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮?
You can request a quote for 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-溴苯基)-1,3-二硫杂环戊烯-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.