3-Phenyl-4-chlorosydnone
TL;DR: 3-Phenyl-4-chlorosydnone (CAS 5226-93-7) is a chemical compound with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-phenyloxadiazol-3-ium-5-olate
Also Known As: 4-Chloro-3-phenylsydnone, 3-phenyl-4-chlorosydnone, Sydnone, 4-chloro-3-phenyl-, 4-chloro-3-phenyloxadiazol-3-ium-5-olate, 4-Chloro-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
| Molecular Formula | C8H5ClN2O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.00395 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 5226-93-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=NOC(=C2Cl)[O-] |
| InChIKey | JWIYLJRASQHSAV-UHFFFAOYSA-N |
Product Overview
3-Phenyl-4-chlorosydnone (CAS 5226-93-7), with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol. IUPAC: 4-chloro-3-phenyloxadiazol-3-ium-5-olate.
Chemical Property Profile of 3-Phenyl-4-chlorosydnone
Property Insights of 3-Phenyl-4-chlorosydnone
The XLogP value of 3.8 indicates that 3-Phenyl-4-chlorosydnone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 3-Phenyl-4-chlorosydnone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-4-chlorosydnone 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 3-Phenyl-4-chlorosydnone?
The CAS number of 3-Phenyl-4-chlorosydnone is 5226-93-7.
What is the molecular formula of 3-Phenyl-4-chlorosydnone?
The molecular formula of 3-Phenyl-4-chlorosydnone is C8H5ClN2O2.
What is the molecular weight of 3-Phenyl-4-chlorosydnone?
The molecular weight of 3-Phenyl-4-chlorosydnone is 196.00 g/mol.
Where can I buy 3-Phenyl-4-chlorosydnone?
You can request a quote for 3-Phenyl-4-chlorosydnone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-4-chlorosydnone?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-4-chlorosydnone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.