UPCMLD0ENAT5834987:001
TL;DR: UPCMLD0ENAT5834987:001 (CAS 851940-69-7) is a chemical compound with molecular formula C23H28N6O5 and molecular weight 468.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenacylpurin-8-yl)methyl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5834987:001, ethyl 4-{[1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate, ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenacylpurin-8-yl)methyl]piperazine-1-carboxylate, Ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenacyl-purin-8-yl)methyl]piperazine-1-carboxylate, ethyl 4-((1,3-dimethyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate
| Molecular Formula | C23H28N6O5 |
|---|---|
| Molecular Weight | 468.21 g/mol |
| LogP | 0.5907 |
| Topological Polar Surface Area | 111.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.21213 |
| Heavy Atoms | 34 |
| Complexity | 1331.8651 |
Chemical Identifiers
| CAS Number | 851940-69-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5834987:001 (CAS 851940-69-7), with molecular formula C23H28N6O5 and molecular weight 468.21 g/mol. IUPAC: ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-phenacylpurin-8-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5834987:001
Property Insights of UPCMLD0ENAT5834987:001
The XLogP value of 0.5907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5834987:001. The TPSA of 111.67 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5834987:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5834987:001 has 0 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5834987:001?
The CAS number of UPCMLD0ENAT5834987:001 is 851940-69-7.
What is the molecular formula of UPCMLD0ENAT5834987:001?
The molecular formula of UPCMLD0ENAT5834987:001 is C23H28N6O5.
What is the molecular weight of UPCMLD0ENAT5834987:001?
The molecular weight of UPCMLD0ENAT5834987:001 is 468.21 g/mol.
Where can I buy UPCMLD0ENAT5834987:001?
You can request a quote for UPCMLD0ENAT5834987:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5834987:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5834987:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.