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Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
TL;DR: Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate (CAS 332026-91-2) is a chemical compound with molecular formula C13H13N5O3 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
Also Known As: ZERO/005100, BIM-0017706.P001, ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate, Ethyl 2-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imidazol-1-yl)acetate, ethyl [2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetate
| Molecular Formula | C13H13N5O3 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.10184 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 332026-91-2 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2N=C1C3=NON=C3N |
| InChIKey | MEXYDCGTNFLIOA-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate (CAS 332026-91-2), with molecular formula C13H13N5O3 and molecular weight 287.10 g/mol. IUPAC: ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate.
Chemical Property Profile of Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
Property Insights of Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate 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 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate?
The CAS number of Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate is 332026-91-2.
What is the molecular formula of Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate?
The molecular formula of Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate is C13H13N5O3.
What is the molecular weight of Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate?
The molecular weight of Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate is 287.10 g/mol.
Where can I buy Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate?
You can request a quote for Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-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 Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.