C22H20FN7O3S
TL;DR: C22H20FN7O3S (CAS 1039010-03-1) is a chemical compound with molecular formula C22H20FN7O3S and molecular weight 481.13324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-(2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio} acetylamino)benzoate, ethyl 4-[[2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-{[({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate, C22H20FN7O3S
Technical Specifications
| Molecular Formula | C22H20FN7O3S |
| Molecular Weight | 481.13324 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.13324 Da |
| Heavy Atoms | 34 |
| Complexity | 691.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F |
| InChIKey | JDEDYFAAGQVDRM-UHFFFAOYSA-N |
Chemical Property Profile of C22H20FN7O3S
Property Insights of C22H20FN7O3S
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H20FN7O3S. The TPSA of 166.0 Ų indicates high polarity, suggesting C22H20FN7O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H20FN7O3S has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C22H20FN7O3S?
The CAS number of C22H20FN7O3S is 1039010-03-1.
What is the molecular formula of C22H20FN7O3S?
The molecular formula of C22H20FN7O3S is C22H20FN7O3S.
What is the molecular weight of C22H20FN7O3S?
The molecular weight of C22H20FN7O3S is 481.13324 g/mol.
Where can I buy C22H20FN7O3S?
You can request a quote for C22H20FN7O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H20FN7O3S?
Yes, CoreyChem provides custom synthesis services for C22H20FN7O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.