Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate
TL;DR: Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate (CAS 100554-35-6) is a chemical compound with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,2,4-triazol-1-yl)propanoate
Also Known As: Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate, methyltriazolylpropanoate, methyl 2-(1,2,4-triazol-1-yl)propanoate, methyl 2-(1,2,4-triazolyl)propanoate, Methyl2-(1H-1,2,4-triazol-1-yl)propanoate
| Molecular Formula | C6H9N3O2 |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | 0.0121 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.06947 |
| Heavy Atoms | 11 |
| Complexity | 231.98524 |
Chemical Identifiers
| CAS Number | 100554-35-6 |
|---|---|
| SMILES | CC(C(=O)OC)N1C=NC=N1 |
Product Overview
Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate (CAS 100554-35-6), with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol. IUPAC: methyl 2-(1,2,4-triazol-1-yl)propanoate.
Chemical Property Profile of Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate
Property Insights of Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate
The XLogP value of 0.0121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate. With a topological polar surface area (TPSA) of 57.01 Ų, Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate has 0 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 Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate?
The CAS number of Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate is 100554-35-6.
What is the molecular formula of Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate?
The molecular formula of Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate is C6H9N3O2.
What is the molecular weight of Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate?
The molecular weight of Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate is 155.07 g/mol.
Where can I buy Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate?
You can request a quote for Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1H-1,2,4-triazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.