C22H26ClN5O
TL;DR: C22H26ClN5O (CAS 384349-10-4) is a chemical compound with molecular formula C22H26ClN5O and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]urea
Also Known As: (2E)-2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide, (E)-N-((3s,5s,7s)-adamantan-1-yl)-2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinecarboxamide
| Molecular Formula | C22H26ClN5O |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 4.43602 |
| Topological Polar Surface Area | 71.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1826 |
| Heavy Atoms | 29 |
| Complexity | 916.32806 |
Chemical Identifiers
| CAS Number | 384349-10-4 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=N/NC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5 |
Product Overview
C22H26ClN5O (CAS 384349-10-4), with molecular formula C22H26ClN5O and molecular weight 411.18 g/mol. IUPAC: 1-(1-adamantyl)-3-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]urea.
Chemical Property Profile of C22H26ClN5O
Property Insights of C22H26ClN5O
The XLogP value of 4.43602 indicates that C22H26ClN5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.31 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H26ClN5O. Following Lipinski's Rule of Five, C22H26ClN5O has 2 hydrogen bond donor(s) and 3 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 C22H26ClN5O?
The CAS number of C22H26ClN5O is 384349-10-4.
What is the molecular formula of C22H26ClN5O?
The molecular formula of C22H26ClN5O is C22H26ClN5O.
What is the molecular weight of C22H26ClN5O?
The molecular weight of C22H26ClN5O is 411.18 g/mol.
Where can I buy C22H26ClN5O?
You can request a quote for C22H26ClN5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H26ClN5O?
Yes, KEHONG BIO provides custom synthesis services for C22H26ClN5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.