C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2
TL;DR: C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 (CAS 5947-13-7) is a chemical compound with molecular formula C21H28ClN5O3S and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-[[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyethyl)urea
Also Known As: C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2, 3-(4-chlorophenyl)-1-[[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyethyl)urea, N'-(4-Chlorophenyl)-N-{[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl}-N-(2-methoxyethyl)urea
| Molecular Formula | C21H28ClN5O3S |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 3.2547 |
| Topological Polar Surface Area | 78.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.16013 |
| Heavy Atoms | 31 |
| Complexity | 868.1551 |
Chemical Identifiers
| CAS Number | 5947-13-7 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C2=CSC(=N2)CN(CCOC)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 (CAS 5947-13-7), with molecular formula C21H28ClN5O3S and molecular weight 465.16 g/mol. IUPAC: 3-(4-chlorophenyl)-1-[[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyethyl)urea.
Chemical Property Profile of C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2
Property Insights of C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2
The XLogP value of 3.2547 indicates that C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.01 Ų falls within the moderate polarity range, balancing permeability and solubility for C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2. Following Lipinski's Rule of Five, C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 has 1 hydrogen bond donor(s) and 6 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 C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2?
The CAS number of C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 is 5947-13-7.
What is the molecular formula of C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2?
The molecular formula of C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 is C21H28ClN5O3S.
What is the molecular weight of C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2?
The molecular weight of C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 is 465.16 g/mol.
Where can I buy C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2?
You can request a quote for C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2?
Yes, KEHONG BIO provides custom synthesis services for C6H4(4-NO2)(2-OH)NCHC6H4-4-NO2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.