2-(5-氨基-1,3,4-噁二唑-2-基)乙腈
TL;DR: 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 (CAS 908808-19-5) is a chemical compound with molecular formula C4H4N4O and molecular weight 124.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-氨基-1,3,4-噁二唑-2-基)乙腈
2-(5-amino-1,3,4-oxadiazol-2-yl)acetonitrile
Also Known As: NCI60_005639, 2-(5-amino-1,3,4-oxadiazol-2-yl)acetonitrile, (5-amino-1,3,4-oxadiazol-2-yl)acetonitrile
| Molecular Formula | C4H4N4O |
|---|---|
| Molecular Weight | 124.04 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.03851 |
| Heavy Atoms | 9 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 908808-19-5 |
|---|---|
| SMILES | C(C#N)C1=NN=C(O1)N |
| InChIKey | DTXFXKMIEUOGLZ-UHFFFAOYSA-N |
Product Overview
2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 (CAS 908808-19-5), with molecular formula C4H4N4O and molecular weight 124.04 g/mol. IUPAC: 2-(5-amino-1,3,4-oxadiazol-2-yl)acetonitrile.
Chemical Property Profile of 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈
Property Insights of 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈
The XLogP value of -1.6 indicates that 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈. Following Lipinski's Rule of Five, 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 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 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈?
The CAS number of 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 is 908808-19-5.
What is the molecular formula of 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈?
The molecular formula of 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 is C4H4N4O.
What is the molecular weight of 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈?
The molecular weight of 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 is 124.04 g/mol.
Where can I buy 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈?
You can request a quote for 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-氨基-1,3,4-噁二唑-2-基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.