Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate
TL;DR: Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate (CAS 114145-34-5) is a chemical compound with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate
Also Known As: Epirubicin hydrochloride, ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate, ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate, 2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin-1-yl)acetic acid ethyl ester, 2-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-(1-piperidinyl)-1-purinyl]acetic acid ethyl ester
| Molecular Formula | C22H27N5O4 |
|---|---|
| Molecular Weight | 425.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.2063 |
| Heavy Atoms | 31 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 114145-34-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCCC4)N(C1=O)C |
| InChIKey | UEUBDMGNETZVBL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate (CAS 114145-34-5), with molecular formula C22H27N5O4 and molecular weight 425.21 g/mol. IUPAC: ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate
Property Insights of Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate has 0 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 Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate?
The CAS number of Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate is 114145-34-5.
What is the molecular formula of Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate?
The molecular formula of Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate is C22H27N5O4.
What is the molecular weight of Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate?
The molecular weight of Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate is 425.21 g/mol.
Where can I buy Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate?
You can request a quote for Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(7-benzyl-3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.