ZERO/001939
TL;DR: ZERO/001939 (CAS 312277-79-5) is a chemical compound with molecular formula C16H23N7O5 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyltriazol-4-yl]methyl]piperidine-3-carboxylate
Also Known As: ZERO/001939, Ethyl 1-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl]-3-piperidinecarboxylate, ethyl 1-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}piperidine-3-carboxylate, ethyl 1-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyltriazol-4-yl]methyl]piperidine-3-carboxylate, 1-[3-(4-Amino-furazan-3-yl)-5-ethoxycarbonyl-3H-[1,2,3]triazol-4-ylmethyl]-piperidine-3-carboxylic acid ethyl ester
| Molecular Formula | C16H23N7O5 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 0.1843 |
| Topological Polar Surface Area | 151.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.17606 |
| Heavy Atoms | 28 |
| Complexity | 833.2148 |
Chemical Identifiers
| CAS Number | 312277-79-5 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CC2=C(N=NN2C3=NON=C3N)C(=O)OCC |
Product Overview
ZERO/001939 (CAS 312277-79-5), with molecular formula C16H23N7O5 and molecular weight 393.18 g/mol. IUPAC: ethyl 1-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethoxycarbonyltriazol-4-yl]methyl]piperidine-3-carboxylate.
Chemical Property Profile of ZERO/001939
Property Insights of ZERO/001939
The XLogP value of 0.1843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/001939. The TPSA of 151.49 Ų indicates high polarity, suggesting ZERO/001939 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ZERO/001939 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ZERO/001939?
The CAS number of ZERO/001939 is 312277-79-5.
What is the molecular formula of ZERO/001939?
The molecular formula of ZERO/001939 is C16H23N7O5.
What is the molecular weight of ZERO/001939?
The molecular weight of ZERO/001939 is 393.18 g/mol.
Where can I buy ZERO/001939?
You can request a quote for ZERO/001939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/001939?
Yes, KEHONG BIO provides custom synthesis services for ZERO/001939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.