AB01312736-01
TL;DR: AB01312736-01 (CAS 1009773-57-2) is a chemical compound with molecular formula C22H22FN3O3S2 and molecular weight 459.10867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone
Also Known As: AB01312736-01, F1148-0002, (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(1-((4-fluorophenyl)sulfonyl)pyrrolidin-2-yl)methanone, (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone, 1-[1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
Technical Specifications
| Molecular Formula | C22H22FN3O3S2 |
| Molecular Weight | 459.10867 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.10867 Da |
| Heavy Atoms | 31 |
| Complexity | 733.0 |
| SMILES | CC1=C(C(=NN1C(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F)C)SC4=CC=CC=C4 |
| InChIKey | ZDOOVJFBLSEOKR-UHFFFAOYSA-N |
Chemical Property Profile of AB01312736-01
Property Insights of AB01312736-01
The XLogP value of 4.5 indicates that AB01312736-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312736-01. Following Lipinski's Rule of Five, AB01312736-01 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB01312736-01?
The CAS number of AB01312736-01 is 1009773-57-2.
What is the molecular formula of AB01312736-01?
The molecular formula of AB01312736-01 is C22H22FN3O3S2.
What is the molecular weight of AB01312736-01?
The molecular weight of AB01312736-01 is 459.10867 g/mol.
Where can I buy AB01312736-01?
You can request a quote for AB01312736-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB01312736-01?
Yes, CoreyChem provides custom synthesis services for AB01312736-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.