ChemDiv1_015511
TL;DR: ChemDiv1_015511 (CAS 451504-54-4) is a chemical compound with molecular formula C27H30FN3O4S and molecular weight 511.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
Also Known As: ChemDiv1_015511, VU0488843-1, F0917-0947, 4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-N-[4-(propan-2-yl)phenyl]benzamide, 4-fluoro-N-(4-isopropylphenyl)-3-((4-(4-methoxyphenyl)piperazin-1-yl)sulfonyl)benzamide
| Molecular Formula | C27H30FN3O4S |
|---|---|
| Molecular Weight | 511.19 g/mol |
| LogP | 4.7209 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.1941 |
| Heavy Atoms | 36 |
| Complexity | 1318.1296 |
Chemical Identifiers
| CAS Number | 451504-54-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_015511 (CAS 451504-54-4), with molecular formula C27H30FN3O4S and molecular weight 511.19 g/mol. IUPAC: 4-fluoro-3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide.
Chemical Property Profile of ChemDiv1_015511
Property Insights of ChemDiv1_015511
The XLogP value of 4.7209 indicates that ChemDiv1_015511 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_015511. Following Lipinski's Rule of Five, ChemDiv1_015511 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_015511?
The CAS number of ChemDiv1_015511 is 451504-54-4.
What is the molecular formula of ChemDiv1_015511?
The molecular formula of ChemDiv1_015511 is C27H30FN3O4S.
What is the molecular weight of ChemDiv1_015511?
The molecular weight of ChemDiv1_015511 is 511.19 g/mol.
Where can I buy ChemDiv1_015511?
You can request a quote for ChemDiv1_015511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015511?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.