UPCMLD0ENAT5825073:001
TL;DR: UPCMLD0ENAT5825073:001 (CAS 862979-71-3) 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-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5825073:001, F0669-0565, ethyl 4-{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, Ethyl 4-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]piperazine-1-carboxylate, ethyl 4-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]piperazine-1-carboxylate
| Molecular Formula | C22H28N6O4 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 0.9401 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.2172 |
| Heavy Atoms | 32 |
| Complexity | 1204.8695 |
Chemical Identifiers
| CAS Number | 862979-71-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5825073:001 (CAS 862979-71-3), with molecular formula C22H28N6O4 and molecular weight 440.22 g/mol. IUPAC: ethyl 4-[[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5825073:001
Property Insights of UPCMLD0ENAT5825073:001
The XLogP value of 0.9401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5825073:001. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5825073:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5825073:001 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 UPCMLD0ENAT5825073:001?
The CAS number of UPCMLD0ENAT5825073:001 is 862979-71-3.
What is the molecular formula of UPCMLD0ENAT5825073:001?
The molecular formula of UPCMLD0ENAT5825073:001 is C22H28N6O4.
What is the molecular weight of UPCMLD0ENAT5825073:001?
The molecular weight of UPCMLD0ENAT5825073:001 is 440.22 g/mol.
Where can I buy UPCMLD0ENAT5825073:001?
You can request a quote for UPCMLD0ENAT5825073:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5825073:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5825073:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.