5-氯-4-苯基-1,2-二硫环戊烯-3-酮
TL;DR: 5-氯-4-苯基-1,2-二硫环戊烯-3-酮 (CAS 2425-05-0) is a chemical compound with molecular formula C9H5ClOS2 and molecular weight 227.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-4-苯基-1,2-二硫环戊烯-3-酮
5-chloro-4-phenyldithiol-3-one
Also Known As: Hercules 3944, Hercules 3944X, 5-chloro-4-phenyldithiol-3-one, 5-Chloro-4-phenyl-3H-1,2-dithiol-3-one, RWJ-3981 (compound 2)
| Molecular Formula | C9H5ClOS2 |
|---|---|
| Molecular Weight | 227.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.94704 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 2425-05-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SSC2=O)Cl |
| InChIKey | BWTGFYQZOUAOQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-4-苯基-1,2-二硫环戊烯-3-酮 (CAS 2425-05-0), with molecular formula C9H5ClOS2 and molecular weight 227.95 g/mol. IUPAC: 5-chloro-4-phenyldithiol-3-one.
Chemical Property Profile of 5-氯-4-苯基-1,2-二硫环戊烯-3-酮
Property Insights of 5-氯-4-苯基-1,2-二硫环戊烯-3-酮
The XLogP value of 3.0 indicates that 5-氯-4-苯基-1,2-二硫环戊烯-3-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 5-氯-4-苯基-1,2-二硫环戊烯-3-酮. Following Lipinski's Rule of Five, 5-氯-4-苯基-1,2-二硫环戊烯-3-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 5-氯-4-苯基-1,2-二硫环戊烯-3-酮?
The CAS number of 5-氯-4-苯基-1,2-二硫环戊烯-3-酮 is 2425-05-0.
What is the molecular formula of 5-氯-4-苯基-1,2-二硫环戊烯-3-酮?
The molecular formula of 5-氯-4-苯基-1,2-二硫环戊烯-3-酮 is C9H5ClOS2.
What is the molecular weight of 5-氯-4-苯基-1,2-二硫环戊烯-3-酮?
The molecular weight of 5-氯-4-苯基-1,2-二硫环戊烯-3-酮 is 227.95 g/mol.
Where can I buy 5-氯-4-苯基-1,2-二硫环戊烯-3-酮?
You can request a quote for 5-氯-4-苯基-1,2-二硫环戊烯-3-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-4-苯基-1,2-二硫环戊烯-3-酮?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-4-苯基-1,2-二硫环戊烯-3-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.