F0601-0067
TL;DR: F0601-0067 (CAS 689749-71-1) is a chemical compound with molecular formula C17H21N5O5S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0067, Methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-((4-butyl-5-((4-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[(4-butyl-5-{[(4-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C17H21N5O5S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 2.1815 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 407.12634 |
| Heavy Atoms | 28 |
| Complexity | 836.9637 |
Chemical Identifiers
| CAS Number | 689749-71-1 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
F0601-0067 (CAS 689749-71-1), with molecular formula C17H21N5O5S and molecular weight 407.13 g/mol. IUPAC: methyl 2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0067
Property Insights of F0601-0067
The XLogP value of 2.1815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0067. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0067. Following Lipinski's Rule of Five, F0601-0067 has 1 hydrogen bond donor(s) and 8 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 F0601-0067?
The CAS number of F0601-0067 is 689749-71-1.
What is the molecular formula of F0601-0067?
The molecular formula of F0601-0067 is C17H21N5O5S.
What is the molecular weight of F0601-0067?
The molecular weight of F0601-0067 is 407.13 g/mol.
Where can I buy F0601-0067?
You can request a quote for F0601-0067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0067?
Yes, KEHONG BIO provides custom synthesis services for F0601-0067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.