RefChem:331433
TL;DR: RefChem:331433 (CAS 101221-63-0) is a chemical compound with molecular formula C23H26FN3O and molecular weight 379.206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-[methyl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)amino]butan-1-one
Also Known As: Butyrophenone, 4'-fluoro-4-(methyl(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-2-ylmethyl)amino)-, 4'-Fluoro-4-(methyl(1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indol-2-ylmethyl)amino)butyrophenone, 1-(4-fluorophenyl)-4-[methyl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)amino]butan-1-one, BUTYROPHENONE, 4'-FLUORO-4-(METHYL(1,2,3,4-TETRAHYDRO-9H-PYRIDO(3,4-b)INDOL-2-YL, 1-(4-FLUOROPHENYL)-4-[METHYL({1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOL-2-YL}METHYL)AMINO]BUTAN-1-ONE
Technical Specifications
| Molecular Formula | C23H26FN3O |
| Molecular Weight | 379.206 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.206 Da |
| Heavy Atoms | 28 |
| Complexity | 522.0 |
| SMILES | CN(CCCC(=O)C1=CC=C(C=C1)F)CN2CCC3=C(C2)NC4=CC=CC=C34 |
| InChIKey | KCWAIWPGRLUYOS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331433
Property Insights of RefChem:331433
The XLogP value of 3.9 indicates that RefChem:331433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, RefChem:331433 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331433 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:331433?
The CAS number of RefChem:331433 is 101221-63-0.
What is the molecular formula of RefChem:331433?
The molecular formula of RefChem:331433 is C23H26FN3O.
What is the molecular weight of RefChem:331433?
The molecular weight of RefChem:331433 is 379.206 g/mol.
Where can I buy RefChem:331433?
You can request a quote for RefChem:331433 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331433?
Yes, CoreyChem provides custom synthesis services for RefChem:331433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.