1H-Triazirine-1-aceticacid
TL;DR: 1H-Triazirine-1-aceticacid (CAS 2437-47-0) is a chemical compound with molecular formula C2H3N3O2 and molecular weight 101.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(triazirin-1-yl)acetic acid
Also Known As: 1H-Triazirine-1-aceticacid, 2-(triazirin-1-yl)acetic acid, (1H-Triazirin-1-yl)acetic acid
| Molecular Formula | C2H3N3O2 |
|---|---|
| Molecular Weight | 101.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.02253 |
| Heavy Atoms | 7 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 2437-47-0 |
|---|---|
| SMILES | C(C(=O)O)N1N=N1 |
| InChIKey | GKIJEJNSMWRLEZ-UHFFFAOYSA-N |
Product Overview
1H-Triazirine-1-aceticacid (CAS 2437-47-0), with molecular formula C2H3N3O2 and molecular weight 101.02 g/mol. IUPAC: 2-(triazirin-1-yl)acetic acid.
Chemical Property Profile of 1H-Triazirine-1-aceticacid
Property Insights of 1H-Triazirine-1-aceticacid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Triazirine-1-aceticacid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Triazirine-1-aceticacid. Following Lipinski's Rule of Five, 1H-Triazirine-1-aceticacid 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 1H-Triazirine-1-aceticacid?
The CAS number of 1H-Triazirine-1-aceticacid is 2437-47-0.
What is the molecular formula of 1H-Triazirine-1-aceticacid?
The molecular formula of 1H-Triazirine-1-aceticacid is C2H3N3O2.
What is the molecular weight of 1H-Triazirine-1-aceticacid?
The molecular weight of 1H-Triazirine-1-aceticacid is 101.02 g/mol.
Where can I buy 1H-Triazirine-1-aceticacid?
You can request a quote for 1H-Triazirine-1-aceticacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Triazirine-1-aceticacid?
Yes, KEHONG BIO provides custom synthesis services for 1H-Triazirine-1-aceticacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.