5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride
TL;DR: 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 16142-33-9) is a chemical compound with molecular formula C4H9ClN4O and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,3-N-dimethyloxadiazol-3-ium-3,5-diamine chloride
Also Known As: 3-(Dimethylamino)sydnone imine hydrochloride, 3-Dimethylaminosydnonimine hydrochloride, Sydnone imine, 3-(dimethylamino)-, monohydrochloride, 3-N,3-N-dimethyloxadiazol-3-ium-3,5-diamine chloride, 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride
| Molecular Formula | C4H9ClN4O |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | -4.2541 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.0465 |
| Heavy Atoms | 10 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 16142-33-9 |
|---|---|
| SMILES | CN(C)[N+]1=NOC(=C1)N.[Cl-] |
| InChIKey | HUGANTMXIYFMCP-UHFFFAOYSA-M |
Product Overview
5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride (CAS 16142-33-9), with molecular formula C4H9ClN4O and molecular weight 164.05 g/mol. IUPAC: 3-N,3-N-dimethyloxadiazol-3-ium-3,5-diamine chloride.
Chemical Property Profile of 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride
Property Insights of 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride
The XLogP value of -4.2541 indicates that 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.2 Ų, 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride has 1 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 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride?
The CAS number of 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride is 16142-33-9.
What is the molecular formula of 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular formula of 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride is C4H9ClN4O.
What is the molecular weight of 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride?
The molecular weight of 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride is 164.05 g/mol.
Where can I buy 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride?
You can request a quote for 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-(dimethylamino)-3H-1,2,3-oxadiazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.