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5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium
TL;DR: 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium (CAS 55588-61-9) is a chemical compound with molecular formula C3H6N3O+ and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyloxadiazol-3-ium-5-amine
Also Known As: 3-methyloxadiazol-3-ium-5-amine, 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium, 1,2,3-Oxadiazolium, 5-amino-3-methyl- (9CI)
| Molecular Formula | C3H6N3O+ |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.05109 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 55588-61-9 |
|---|---|
| SMILES | C[N+]1=NOC(=C1)N |
| InChIKey | XEIWWBIPFNWNBB-UHFFFAOYSA-N |
Product Overview
5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium (CAS 55588-61-9), with molecular formula C3H6N3O+ and molecular weight 100.05 g/mol. IUPAC: 3-methyloxadiazol-3-ium-5-amine.
Chemical Property Profile of 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium
Property Insights of 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium. With a topological polar surface area (TPSA) of 55.9 Ų, 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium has 1 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-Amino-3-methyl-[1,2,3]oxadiazol-3-ium?
The CAS number of 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium is 55588-61-9.
What is the molecular formula of 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium?
The molecular formula of 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium is C3H6N3O+.
What is the molecular weight of 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium?
The molecular weight of 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium is 100.05 g/mol.
Where can I buy 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium?
You can request a quote for 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium 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-methyl-[1,2,3]oxadiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-methyl-[1,2,3]oxadiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.