8F-014
TL;DR: 8F-014 (CAS 478080-10-3) is a chemical compound with molecular formula C11H16N6O2S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: 8F-014, methyl 2-({4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-({4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-({4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C11H16N6O2S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 0.4551 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.10553 |
| Heavy Atoms | 20 |
| Complexity | 592.08514 |
Chemical Identifiers
| CAS Number | 478080-10-3 |
|---|---|
| SMILES | CC(C)(C1=NN=C(N1C)SCC(=O)OC)N2C=NC=N2 |
Product Overview
8F-014 (CAS 478080-10-3), with molecular formula C11H16N6O2S and molecular weight 296.11 g/mol. IUPAC: methyl 2-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of 8F-014
Property Insights of 8F-014
The XLogP value of 0.4551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8F-014. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 8F-014. Following Lipinski's Rule of Five, 8F-014 has 0 hydrogen bond donor(s) and 7 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 8F-014?
The CAS number of 8F-014 is 478080-10-3.
What is the molecular formula of 8F-014?
The molecular formula of 8F-014 is C11H16N6O2S.
What is the molecular weight of 8F-014?
The molecular weight of 8F-014 is 296.11 g/mol.
Where can I buy 8F-014?
You can request a quote for 8F-014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8F-014?
Yes, KEHONG BIO provides custom synthesis services for 8F-014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.