ZERO/003014
TL;DR: ZERO/003014 (CAS 312267-27-9) is a chemical compound with molecular formula C12H11N7O3S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)triazole-4-carboxylate
Also Known As: ZERO/003014, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)triazole-4-carboxylate, Methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((pyridin-2-ylthio)methyl)-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(pyridin-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C12H11N7O3S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 0.7064 |
| Topological Polar Surface Area | 134.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.06442 |
| Heavy Atoms | 23 |
| Complexity | 817.186 |
Chemical Identifiers
| CAS Number | 312267-27-9 |
|---|---|
| SMILES | COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=N3 |
Product Overview
ZERO/003014 (CAS 312267-27-9), with molecular formula C12H11N7O3S and molecular weight 333.06 g/mol. IUPAC: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)triazole-4-carboxylate.
Chemical Property Profile of ZERO/003014
Property Insights of ZERO/003014
The XLogP value of 0.7064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/003014. The TPSA of 134.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/003014. Following Lipinski's Rule of Five, ZERO/003014 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/003014?
The CAS number of ZERO/003014 is 312267-27-9.
What is the molecular formula of ZERO/003014?
The molecular formula of ZERO/003014 is C12H11N7O3S.
What is the molecular weight of ZERO/003014?
The molecular weight of ZERO/003014 is 333.06 g/mol.
Where can I buy ZERO/003014?
You can request a quote for ZERO/003014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/003014?
Yes, KEHONG BIO provides custom synthesis services for ZERO/003014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.