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Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate
TL;DR: Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate (CAS 696649-37-3) is a chemical compound with molecular formula C14H15N5O3 and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate
Also Known As: ZERO/005101, ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate, Ethyl 3-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imidazol-1-yl)propanoate, ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]propanoate, ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1{H}-benzimidazol-1-yl]propanoate
| Molecular Formula | C14H15N5O3 |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 1.6217 |
| Topological Polar Surface Area | 109.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1175 |
| Heavy Atoms | 22 |
| Complexity | 807.7759 |
Chemical Identifiers
| CAS Number | 696649-37-3 |
|---|---|
| SMILES | CCOC(=O)CCN1C2=CC=CC=C2N=C1C3=NON=C3N |
Product Overview
Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate (CAS 696649-37-3), with molecular formula C14H15N5O3 and molecular weight 301.12 g/mol. IUPAC: ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate.
Chemical Property Profile of Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate
Property Insights of Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate
The XLogP value of 1.6217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate. The TPSA of 109.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate has 1 hydrogen bond donor(s) and 7 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-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate?
The CAS number of Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate is 696649-37-3.
What is the molecular formula of Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate?
The molecular formula of Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate is C14H15N5O3.
What is the molecular weight of Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate?
The molecular weight of Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate is 301.12 g/mol.
Where can I buy Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate?
You can request a quote for Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-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-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.