ZERO/003067
TL;DR: ZERO/003067 (CAS 311797-55-4) is a chemical compound with molecular formula C16H13N7O5 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]triazole-4-carboxylate
Also Known As: ZERO/003067, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((1,3-dioxoisoindolin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino(1,2,5-oxadiazol-3-yl))-5-[(1,3-dioxobenzo[c]azolidin-2-yl)met hyl]-1,2,3-triazole-4-carboxylate, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C16H13N7O5 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 0.2054 |
| Topological Polar Surface Area | 159.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.0978 |
| Heavy Atoms | 28 |
| Complexity | 1067.5057 |
Chemical Identifiers
| CAS Number | 311797-55-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
ZERO/003067 (CAS 311797-55-4), with molecular formula C16H13N7O5 and molecular weight 383.10 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]triazole-4-carboxylate.
Chemical Property Profile of ZERO/003067
Property Insights of ZERO/003067
The XLogP value of 0.2054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/003067. The TPSA of 159.33 Ų indicates high polarity, suggesting ZERO/003067 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ZERO/003067 has 1 hydrogen bond donor(s) and 10 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 ZERO/003067?
The CAS number of ZERO/003067 is 311797-55-4.
What is the molecular formula of ZERO/003067?
The molecular formula of ZERO/003067 is C16H13N7O5.
What is the molecular weight of ZERO/003067?
The molecular weight of ZERO/003067 is 383.10 g/mol.
Where can I buy ZERO/003067?
You can request a quote for ZERO/003067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/003067?
Yes, KEHONG BIO provides custom synthesis services for ZERO/003067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.