Phenyl(triaz-2-yn-2-ium-1-yl)acetate
TL;DR: Phenyl(triaz-2-yn-2-ium-1-yl)acetate (CAS 29289-35-8) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diazonioamino)-2-phenylacetate
Also Known As: (1)-Azidophenylacetic acid, phenyl(triaz-2-yn-2-ium-1-yl)acetate, 2-(diazonioamino)-2-phenylacetate, EINECS 249-545-8
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 29289-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)[O-])N[N+]#N |
| InChIKey | OEVMDFPZEVKJQS-UHFFFAOYSA-N |
Product Overview
Phenyl(triaz-2-yn-2-ium-1-yl)acetate (CAS 29289-35-8), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 2-(diazonioamino)-2-phenylacetate.
Chemical Property Profile of Phenyl(triaz-2-yn-2-ium-1-yl)acetate
Property Insights of Phenyl(triaz-2-yn-2-ium-1-yl)acetate
The XLogP value of 3.3 indicates that Phenyl(triaz-2-yn-2-ium-1-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl(triaz-2-yn-2-ium-1-yl)acetate. Following Lipinski's Rule of Five, Phenyl(triaz-2-yn-2-ium-1-yl)acetate 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 Phenyl(triaz-2-yn-2-ium-1-yl)acetate?
The CAS number of Phenyl(triaz-2-yn-2-ium-1-yl)acetate is 29289-35-8.
What is the molecular formula of Phenyl(triaz-2-yn-2-ium-1-yl)acetate?
The molecular formula of Phenyl(triaz-2-yn-2-ium-1-yl)acetate is C8H7N3O2.
What is the molecular weight of Phenyl(triaz-2-yn-2-ium-1-yl)acetate?
The molecular weight of Phenyl(triaz-2-yn-2-ium-1-yl)acetate is 177.05 g/mol.
Where can I buy Phenyl(triaz-2-yn-2-ium-1-yl)acetate?
You can request a quote for Phenyl(triaz-2-yn-2-ium-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(triaz-2-yn-2-ium-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(triaz-2-yn-2-ium-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.