ZERO/003072
TL;DR: ZERO/003072 (CAS 296790-46-0) is a chemical compound with molecular formula C17H15N7O3S and molecular weight 397.10 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-(quinolin-8-ylsulfanylmethyl)triazole-4-carboxylate
Also Known As: ZERO/003072, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((quinolin-8-ylthio)methyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(quinolin-8-ylsulfanylmethyl)triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(8-quinolylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(quinolin-8-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C17H15N7O3S |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 2.2497 |
| Topological Polar Surface Area | 134.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0957 |
| Heavy Atoms | 28 |
| Complexity | 1135.451 |
Chemical Identifiers
| CAS Number | 296790-46-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC4=C3N=CC=C4 |
Product Overview
ZERO/003072 (CAS 296790-46-0), with molecular formula C17H15N7O3S and molecular weight 397.10 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(quinolin-8-ylsulfanylmethyl)triazole-4-carboxylate.
Chemical Property Profile of ZERO/003072
Property Insights of ZERO/003072
The XLogP value of 2.2497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/003072. The TPSA of 134.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/003072. Following Lipinski's Rule of Five, ZERO/003072 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/003072?
The CAS number of ZERO/003072 is 296790-46-0.
What is the molecular formula of ZERO/003072?
The molecular formula of ZERO/003072 is C17H15N7O3S.
What is the molecular weight of ZERO/003072?
The molecular weight of ZERO/003072 is 397.10 g/mol.
Where can I buy ZERO/003072?
You can request a quote for ZERO/003072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/003072?
Yes, KEHONG BIO provides custom synthesis services for ZERO/003072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.