RefChem:331406
TL;DR: RefChem:331406 (CAS 101247-79-4) is a chemical compound with molecular formula C25H30FN3O and molecular weight 407.2373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-(3-methyl-4,7,17-triazatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)butan-1-one
Also Known As: 2-Methyl-5-(gamma-(p-fluorobenzoyl)propyl)-1,2,3,4,5,6,7,8-octahydro-2,5-indolodiazocine, Butyrophenone, 4'-fluoro-4-(2-methyl-1,2,3,4,5,6,7,8-octahydro-13H-1,4,-diazecino(8,7-b)indol-5-yl)-, 1-(4-Fluorophenyl)-4-(7-methyl-2,3,4,5,6,7,8,9-octahydro-1H-[1,4]diazecino[7,8-b]indol-4-yl)butan-1-one, BUTYROPHENONE, 4'-FLUORO-4-(2-METHYL-1,2,3,4,5,6,7,8-OCTAHYDRO-13H-1,4,-DIAZECIN
Technical Specifications
| Molecular Formula | C25H30FN3O |
| Molecular Weight | 407.2373 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 56.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.2373 Da |
| Heavy Atoms | 30 |
| Complexity | 551.0 |
| SMILES | CC1CC2=C(CCNC(CN1)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2 |
| InChIKey | NELXIQANQPYCSY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331406
Property Insights of RefChem:331406
The XLogP value of 4.1 indicates that RefChem:331406 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, RefChem:331406 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331406 has 3 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:331406?
The CAS number of RefChem:331406 is 101247-79-4.
What is the molecular formula of RefChem:331406?
The molecular formula of RefChem:331406 is C25H30FN3O.
What is the molecular weight of RefChem:331406?
The molecular weight of RefChem:331406 is 407.2373 g/mol.
Where can I buy RefChem:331406?
You can request a quote for RefChem:331406 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331406?
Yes, CoreyChem provides custom synthesis services for RefChem:331406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.