ChemDiv1_000551
TL;DR: ChemDiv1_000551 (CAS 314032-63-8) is a chemical compound with molecular formula C20H25ClN4O3 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[C-(2-chlorophenyl)-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Also Known As: ChemDiv1_000551, 5-((2-chlorophenyl)((2-(piperidin-1-yl)ethyl)amino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-((2-chlorophenyl){[2-(1-piperidinyl)ethyl]amino}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(2-chlorophenyl)-(2-piperidin-1-ylethylamino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-[(2-chlorophenyl){[2-(piperidin-1-yl)ethyl]amino}methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C20H25ClN4O3 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 1.7663 |
| Topological Polar Surface Area | 79.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.16153 |
| Heavy Atoms | 28 |
| Complexity | 1003.486 |
Chemical Identifiers
| CAS Number | 314032-63-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=NCCN2CCCCC2)C3=CC=CC=C3Cl)O |
Product Overview
ChemDiv1_000551 (CAS 314032-63-8), with molecular formula C20H25ClN4O3 and molecular weight 404.16 g/mol. IUPAC: 5-[C-(2-chlorophenyl)-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv1_000551
Property Insights of ChemDiv1_000551
The XLogP value of 1.7663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_000551. The TPSA of 79.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000551. Following Lipinski's Rule of Five, ChemDiv1_000551 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_000551?
The CAS number of ChemDiv1_000551 is 314032-63-8.
What is the molecular formula of ChemDiv1_000551?
The molecular formula of ChemDiv1_000551 is C20H25ClN4O3.
What is the molecular weight of ChemDiv1_000551?
The molecular weight of ChemDiv1_000551 is 404.16 g/mol.
Where can I buy ChemDiv1_000551?
You can request a quote for ChemDiv1_000551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000551?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.