(S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea
TL;DR: (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea (CAS 217645-69-7) is a chemical compound with molecular formula C21H24ClFN4O3 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-[2-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
Also Known As: (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea, [5-chloro-2-[2-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
| Molecular Formula | C21H24ClFN4O3 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 3.0814 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1521 |
| Heavy Atoms | 30 |
| Complexity | 909.6245 |
Chemical Identifiers
| CAS Number | 217645-69-7 |
|---|---|
| SMILES | C[C@H]1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F |
Product Overview
(S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea (CAS 217645-69-7), with molecular formula C21H24ClFN4O3 and molecular weight 434.15 g/mol. IUPAC: [5-chloro-2-[2-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea.
Chemical Property Profile of (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea
Property Insights of (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea
The XLogP value of 3.0814 indicates that (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea. Following Lipinski's Rule of Five, (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea has 2 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 (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea?
The CAS number of (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea is 217645-69-7.
What is the molecular formula of (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea?
The molecular formula of (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea is C21H24ClFN4O3.
What is the molecular weight of (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea?
The molecular weight of (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea is 434.15 g/mol.
Where can I buy (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea?
You can request a quote for (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-(5-chloro-2-(2-(4-(fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.