ZERO/003017
TL;DR: ZERO/003017 (CAS 5758-18-9) is a chemical compound with molecular formula C14H13N9O3 and molecular weight 355.11 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-(benzotriazol-1-ylmethyl)triazole-4-carboxylate
Also Known As: ZERO/003017, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzotriazol-1-ylmethyl)triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzotriazol-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate, ETHYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(1H-1,2,3-BENZOTRIAZOL-1-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
| Molecular Formula | C14H13N9O3 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 0.2022 |
| Topological Polar Surface Area | 152.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.11414 |
| Heavy Atoms | 26 |
| Complexity | 1080.4171 |
Chemical Identifiers
| CAS Number | 5758-18-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3C4=CC=CC=C4N=N3 |
Product Overview
ZERO/003017 (CAS 5758-18-9), with molecular formula C14H13N9O3 and molecular weight 355.11 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzotriazol-1-ylmethyl)triazole-4-carboxylate.
Chemical Property Profile of ZERO/003017
Property Insights of ZERO/003017
The XLogP value of 0.2022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/003017. The TPSA of 152.66 Ų indicates high polarity, suggesting ZERO/003017 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ZERO/003017 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/003017?
The CAS number of ZERO/003017 is 5758-18-9.
What is the molecular formula of ZERO/003017?
The molecular formula of ZERO/003017 is C14H13N9O3.
What is the molecular weight of ZERO/003017?
The molecular weight of ZERO/003017 is 355.11 g/mol.
Where can I buy ZERO/003017?
You can request a quote for ZERO/003017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/003017?
Yes, KEHONG BIO provides custom synthesis services for ZERO/003017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.