F0601-0078
TL;DR: F0601-0078 (CAS 689750-32-1) is a chemical compound with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0078, methyl 2-[(5-{[(furan-2-yl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-((5-((furan-2-carboxamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl {5-[(2-furylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-ylthio}acetate
| Molecular Formula | C12H14N4O4S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 0.6032 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.07358 |
| Heavy Atoms | 21 |
| Complexity | 623.24585 |
Chemical Identifiers
| CAS Number | 689750-32-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=CO2 |
Product Overview
F0601-0078 (CAS 689750-32-1), with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol. IUPAC: methyl 2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0078
Property Insights of F0601-0078
The XLogP value of 0.6032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0078. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0078. Following Lipinski's Rule of Five, F0601-0078 has 1 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 F0601-0078?
The CAS number of F0601-0078 is 689750-32-1.
What is the molecular formula of F0601-0078?
The molecular formula of F0601-0078 is C12H14N4O4S.
What is the molecular weight of F0601-0078?
The molecular weight of F0601-0078 is 310.07 g/mol.
Where can I buy F0601-0078?
You can request a quote for F0601-0078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0078?
Yes, KEHONG BIO provides custom synthesis services for F0601-0078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.