UPCMLD0ENAT5822344:001
TL;DR: UPCMLD0ENAT5822344:001 (CAS 862979-53-1) is a chemical compound with molecular formula C22H28N6O4 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-methyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5822344:001, ethyl 4-{[3-methyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, ethyl 4-((3-methyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate, ethyl 4-[[3-methyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, ethyl 4-({3-methyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-1,3,7-trihydropurin-8- yl}methyl)piperazinecarboxylate
| Molecular Formula | C22H28N6O4 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 1.05412 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.2172 |
| Heavy Atoms | 32 |
| Complexity | 1249.52 |
Chemical Identifiers
| CAS Number | 862979-53-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5822344:001 (CAS 862979-53-1), with molecular formula C22H28N6O4 and molecular weight 440.22 g/mol. IUPAC: ethyl 4-[[3-methyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5822344:001
Property Insights of UPCMLD0ENAT5822344:001
The XLogP value of 1.05412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5822344:001. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5822344:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5822344:001 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 UPCMLD0ENAT5822344:001?
The CAS number of UPCMLD0ENAT5822344:001 is 862979-53-1.
What is the molecular formula of UPCMLD0ENAT5822344:001?
The molecular formula of UPCMLD0ENAT5822344:001 is C22H28N6O4.
What is the molecular weight of UPCMLD0ENAT5822344:001?
The molecular weight of UPCMLD0ENAT5822344:001 is 440.22 g/mol.
Where can I buy UPCMLD0ENAT5822344:001?
You can request a quote for UPCMLD0ENAT5822344:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5822344:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5822344:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.