1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)
TL;DR: 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) (CAS 16917-41-2) is a chemical compound with molecular formula C8H8ClN3O and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyloxadiazol-3-ium-5-amine chloride
Also Known As: 3-Phenylsydnone imine monohydrochloride, 3-benzenesulfonyl-allyl alcohol, Sydnone imine, 3-phenyl-, monohydrochloride, 3-phenyloxadiazol-3-ium-5-amine chloride, 3-phenyloxadiazol-3-ium-5-amine;chloride
| Molecular Formula | C8H8ClN3O |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | -2.4625 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.03558 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 16917-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=NOC(=C2)N.[Cl-] |
| InChIKey | IUMGUFDITNUNQB-UHFFFAOYSA-M |
Product Overview
1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) (CAS 16917-41-2), with molecular formula C8H8ClN3O and molecular weight 197.04 g/mol. IUPAC: 3-phenyloxadiazol-3-ium-5-amine chloride.
Chemical Property Profile of 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)
Property Insights of 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)
The XLogP value of -2.4625 indicates that 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.9 Ų, 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) has 1 hydrogen bond donor(s) and 4 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 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)?
The CAS number of 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) is 16917-41-2.
What is the molecular formula of 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)?
The molecular formula of 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) is C8H8ClN3O.
What is the molecular weight of 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)?
The molecular weight of 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) is 197.04 g/mol.
Where can I buy 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)?
You can request a quote for 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Oxadiazolium, 5-amino-3-phenyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.