UPCMLD0ENAT5835672:001
TL;DR: UPCMLD0ENAT5835672:001 (CAS 893944-36-0) is a chemical compound with molecular formula C21H33N7O5 and molecular weight 463.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1,3-dimethyl-7-(2-morpholin-4-ylethyl)-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5835672:001, ethyl 4-({1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate, ethyl 4-[[1,3-dimethyl-7-(2-morpholin-4-ylethyl)-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate, ethyl 4-((1,3-dimethyl-7-(2-morpholinoethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate, ethyl 4-{[1,3-dimethyl-7-(2-morpholin-4-ylethyl)-2,6-dioxo-1,3,7-trihydropurin -8-yl]methyl}piperazinecarboxylate
| Molecular Formula | C21H33N7O5 |
|---|---|
| Molecular Weight | 463.25 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 107.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.2543 |
| Heavy Atoms | 33 |
| Complexity | 1106.8722 |
Chemical Identifiers
| CAS Number | 893944-36-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5835672:001 (CAS 893944-36-0), with molecular formula C21H33N7O5 and molecular weight 463.25 g/mol. IUPAC: ethyl 4-[[1,3-dimethyl-7-(2-morpholin-4-ylethyl)-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5835672:001
Property Insights of UPCMLD0ENAT5835672:001
The XLogP value of -0.96 indicates that UPCMLD0ENAT5835672:001 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.07 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835672:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835672:001 has 0 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5835672:001?
The CAS number of UPCMLD0ENAT5835672:001 is 893944-36-0.
What is the molecular formula of UPCMLD0ENAT5835672:001?
The molecular formula of UPCMLD0ENAT5835672:001 is C21H33N7O5.
What is the molecular weight of UPCMLD0ENAT5835672:001?
The molecular weight of UPCMLD0ENAT5835672:001 is 463.25 g/mol.
Where can I buy UPCMLD0ENAT5835672:001?
You can request a quote for UPCMLD0ENAT5835672:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835672:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835672:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.