Centbutindole
TL;DR: Centbutindole (CAS 42021-35-2) is a chemical compound with molecular formula C24H26FN3O and molecular weight 391.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one
Also Known As: Centbutindole, Biriperone, Biriperone, (S)-, Biriperone,(S)-, centbutindole,(S)-isomer
| Molecular Formula | C24H26FN3O |
|---|---|
| Molecular Weight | 391.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.206 |
| Heavy Atoms | 29 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 42021-35-2 |
|---|---|
| SMILES | C1CN2CC3=C(C[C@H]2CN1CCCC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3 |
| InChIKey | YCNCIZWAGQTWBI-IBGZPJMESA-N |
Product Overview
Centbutindole (CAS 42021-35-2), with molecular formula C24H26FN3O and molecular weight 391.21 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one.
Chemical Property Profile of Centbutindole
Property Insights of Centbutindole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Centbutindole. With a topological polar surface area (TPSA) of 39.3 Ų, Centbutindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Centbutindole 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
Frequently Asked Questions
What is the CAS number of Centbutindole?
The CAS number of Centbutindole is 42021-35-2.
What is the molecular formula of Centbutindole?
The molecular formula of Centbutindole is C24H26FN3O.
What is the molecular weight of Centbutindole?
The molecular weight of Centbutindole is 391.21 g/mol.
Where can I buy Centbutindole?
You can request a quote for Centbutindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Centbutindole?
Yes, KEHONG BIO provides custom synthesis services for Centbutindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.