F0601-0072
TL;DR: F0601-0072 (CAS 689749-99-3) is a chemical compound with molecular formula C21H21N5O5S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(3-methylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0072, ethyl 2-((5-((4-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, Ethyl 2-[[4-(3-methylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-{[4-(3-methylphenyl)-5-{[(4-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C21H21N5O5S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 3.06912 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.12634 |
| Heavy Atoms | 32 |
| Complexity | 1129.864 |
Chemical Identifiers
| CAS Number | 689749-99-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
F0601-0072 (CAS 689749-99-3), with molecular formula C21H21N5O5S and molecular weight 455.13 g/mol. IUPAC: ethyl 2-[[4-(3-methylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0072
Property Insights of F0601-0072
The XLogP value of 3.06912 indicates that F0601-0072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0072. Following Lipinski's Rule of Five, F0601-0072 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 F0601-0072?
The CAS number of F0601-0072 is 689749-99-3.
What is the molecular formula of F0601-0072?
The molecular formula of F0601-0072 is C21H21N5O5S.
What is the molecular weight of F0601-0072?
The molecular weight of F0601-0072 is 455.13 g/mol.
Where can I buy F0601-0072?
You can request a quote for F0601-0072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0072?
Yes, KEHONG BIO provides custom synthesis services for F0601-0072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.