5-HT6/7 antagonist 1
TL;DR: 5-HT6/7 antagonist 1 (CAS 131999-28-5) is a chemical compound with molecular formula C22H20FN3O3 and molecular weight 393.14886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
Also Known As: 5-HT6/7 antagonist 1, P 706A, N-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]phthalimide, N-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-piperidinyl]ethyl]phthalimide, N-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]ethyl]phthalimide
Technical Specifications
| Molecular Formula | C22H20FN3O3 |
| Molecular Weight | 393.14886 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.14886 Da |
| Heavy Atoms | 29 |
| Complexity | 615.0 |
| SMILES | C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCN4C(=O)C5=CC=CC=C5C4=O |
| InChIKey | FSSNYDKJFUMCDJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-HT6/7 antagonist 1
Property Insights of 5-HT6/7 antagonist 1
The XLogP value of 3.1 indicates that 5-HT6/7 antagonist 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-HT6/7 antagonist 1. Following Lipinski's Rule of Five, 5-HT6/7 antagonist 1 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-HT6/7 antagonist 1?
The CAS number of 5-HT6/7 antagonist 1 is 131999-28-5.
What is the molecular formula of 5-HT6/7 antagonist 1?
The molecular formula of 5-HT6/7 antagonist 1 is C22H20FN3O3.
What is the molecular weight of 5-HT6/7 antagonist 1?
The molecular weight of 5-HT6/7 antagonist 1 is 393.14886 g/mol.
Where can I buy 5-HT6/7 antagonist 1?
You can request a quote for 5-HT6/7 antagonist 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-HT6/7 antagonist 1?
Yes, CoreyChem provides custom synthesis services for 5-HT6/7 antagonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.