12P-033
TL;DR: 12P-033 (CAS 439094-52-7) is a chemical compound with molecular formula C25H26FN3O3S and molecular weight 467.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one
Also Known As: 12P-033, 5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one, 5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylbenzenesulfonyl)-4,5,6,7-tetrahydro-1H-indol-4-one, 5-[4-(2-fluorophenyl)piperazino]-1-[(4-methylphenyl)sulfonyl]-1,5,6,7-tetrahydro-4H-indol-4-one
| Molecular Formula | C25H26FN3O3S |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 3.49232 |
| Topological Polar Surface Area | 62.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.16788 |
| Heavy Atoms | 33 |
| Complexity | 1292.6863 |
Chemical Identifiers
| CAS Number | 439094-52-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2CCC(C3=O)N4CCN(CC4)C5=CC=CC=C5F |
Product Overview
12P-033 (CAS 439094-52-7), with molecular formula C25H26FN3O3S and molecular weight 467.17 g/mol. IUPAC: 5-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indol-4-one.
Chemical Property Profile of 12P-033
Property Insights of 12P-033
The XLogP value of 3.49232 indicates that 12P-033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 12P-033. Following Lipinski's Rule of Five, 12P-033 has 0 hydrogen bond donor(s) and 5 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 12P-033?
The CAS number of 12P-033 is 439094-52-7.
What is the molecular formula of 12P-033?
The molecular formula of 12P-033 is C25H26FN3O3S.
What is the molecular weight of 12P-033?
The molecular weight of 12P-033 is 467.17 g/mol.
Where can I buy 12P-033?
You can request a quote for 12P-033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-033?
Yes, KEHONG BIO provides custom synthesis services for 12P-033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.