ChemDiv1_015816
TL;DR: ChemDiv1_015816 (CAS 451504-08-8) is a chemical compound with molecular formula C25H25ClFN3O4S and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluorobenzamide
Also Known As: ChemDiv1_015816, F0917-0882, 3-((4-(3-chlorophenyl)piperazin-1-yl)sulfonyl)-N-(4-ethoxyphenyl)-4-fluorobenzamide, 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluorobenzamide, 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide
| Molecular Formula | C25H25ClFN3O4S |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 4.641 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.12384 |
| Heavy Atoms | 35 |
| Complexity | 1310.5421 |
Chemical Identifiers
| CAS Number | 451504-08-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
ChemDiv1_015816 (CAS 451504-08-8), with molecular formula C25H25ClFN3O4S and molecular weight 517.12 g/mol. IUPAC: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethoxyphenyl)-4-fluorobenzamide.
Chemical Property Profile of ChemDiv1_015816
Property Insights of ChemDiv1_015816
The XLogP value of 4.641 indicates that ChemDiv1_015816 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_015816. Following Lipinski's Rule of Five, ChemDiv1_015816 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_015816?
The CAS number of ChemDiv1_015816 is 451504-08-8.
What is the molecular formula of ChemDiv1_015816?
The molecular formula of ChemDiv1_015816 is C25H25ClFN3O4S.
What is the molecular weight of ChemDiv1_015816?
The molecular weight of ChemDiv1_015816 is 517.12 g/mol.
Where can I buy ChemDiv1_015816?
You can request a quote for ChemDiv1_015816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015816?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.