ZERO/003077
TL;DR: ZERO/003077 (CAS 296791-55-4) is a chemical compound with molecular formula C14H23N7O3 and molecular weight 337.19 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-[[di(propan-2-yl)amino]methyl]triazole-4-carboxylate
Also Known As: ZERO/003077, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diisopropylamino)methyl]-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[di(propan-2-yl)amino]methyl]triazole-4-carboxylate, ethyl 1-(4-amino(1,2,5-oxadiazol-3-yl))-5-{[bis(methylethyl)amino]methyl}-1,2, 3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropan-2-ylamino)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C14H23N7O3 |
|---|---|
| Molecular Weight | 337.19 g/mol |
| LogP | 1.028 |
| Topological Polar Surface Area | 125.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.18625 |
| Heavy Atoms | 24 |
| Complexity | 684.3545 |
Chemical Identifiers
| CAS Number | 296791-55-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C(C)C)C(C)C |
Product Overview
ZERO/003077 (CAS 296791-55-4), with molecular formula C14H23N7O3 and molecular weight 337.19 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[di(propan-2-yl)amino]methyl]triazole-4-carboxylate.
Chemical Property Profile of ZERO/003077
Property Insights of ZERO/003077
The XLogP value of 1.028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/003077. The TPSA of 125.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/003077. Following Lipinski's Rule of Five, ZERO/003077 has 1 hydrogen bond donor(s) and 9 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/003077?
The CAS number of ZERO/003077 is 296791-55-4.
What is the molecular formula of ZERO/003077?
The molecular formula of ZERO/003077 is C14H23N7O3.
What is the molecular weight of ZERO/003077?
The molecular weight of ZERO/003077 is 337.19 g/mol.
Where can I buy ZERO/003077?
You can request a quote for ZERO/003077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/003077?
Yes, KEHONG BIO provides custom synthesis services for ZERO/003077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.