Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate
TL;DR: Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate (CAS 69218-47-9) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzotriazol-1-yl)propanoate
Also Known As: starbld0033546, Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate, ethyl 3-(benzotriazol-1-yl)propanoate, Ethyl 3-benzotriazol-1-ylpropanoate, Ethyl 3-(1H-benzo[d][1,2,3]triazol-1-yl)propanoate
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.3845 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 492.69025 |
Chemical Identifiers
| CAS Number | 69218-47-9 |
|---|---|
| SMILES | CCOC(=O)CCN1C2=CC=CC=C2N=N1 |
Product Overview
Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate (CAS 69218-47-9), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: ethyl 3-(benzotriazol-1-yl)propanoate.
Chemical Property Profile of Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate
Property Insights of Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate
The XLogP value of 1.3845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate. With a topological polar surface area (TPSA) of 57.01 Ų, Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(1H-1,2,3-benzotriazol-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 Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate?
The CAS number of Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate is 69218-47-9.
What is the molecular formula of Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate?
The molecular formula of Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate is C11H13N3O2.
What is the molecular weight of Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate?
The molecular weight of Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate is 219.10 g/mol.
Where can I buy Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate?
You can request a quote for Ethyl 3-(1H-1,2,3-benzotriazol-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 Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1H-1,2,3-benzotriazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.