F0601-0090
TL;DR: F0601-0090 (CAS 689750-91-2) is a chemical compound with molecular formula C21H21FN4O5S and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0090, methyl 2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl {[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((5-((3,4-dimethoxybenzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C21H21FN4O5S |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 2.6187 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.12167 |
| Heavy Atoms | 32 |
| Complexity | 1104.0695 |
Chemical Identifiers
| CAS Number | 689750-91-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)OC)OC |
Product Overview
F0601-0090 (CAS 689750-91-2), with molecular formula C21H21FN4O5S and molecular weight 460.12 g/mol. IUPAC: methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0090
Property Insights of F0601-0090
The XLogP value of 2.6187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0090. The TPSA of 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0090. Following Lipinski's Rule of Five, F0601-0090 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 F0601-0090?
The CAS number of F0601-0090 is 689750-91-2.
What is the molecular formula of F0601-0090?
The molecular formula of F0601-0090 is C21H21FN4O5S.
What is the molecular weight of F0601-0090?
The molecular weight of F0601-0090 is 460.12 g/mol.
Where can I buy F0601-0090?
You can request a quote for F0601-0090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0090?
Yes, KEHONG BIO provides custom synthesis services for F0601-0090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.