![methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate structure](/static/products/862/862979-80-4.png)
methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
TL;DR: methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate (CAS 862979-80-4) is a chemical compound with molecular formula C24H25N5O4 and molecular weight 447.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
Also Known As: methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate, methyl 2-{8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetate, methyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate, methyl 2-(8-{[bisbenzylamino]methyl}-3-methyl-2,6-dioxo-1,3,7-trihydropurin-7- yl)acetate
| Molecular Formula | C24H25N5O4 |
|---|---|
| Molecular Weight | 447.19 g/mol |
| LogP | 1.7987 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.19064 |
| Heavy Atoms | 33 |
| Complexity | 1331.7495 |
Chemical Identifiers
| CAS Number | 862979-80-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)OC |
Product Overview
methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate (CAS 862979-80-4), with molecular formula C24H25N5O4 and molecular weight 447.19 g/mol. IUPAC: methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
Property Insights of methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate
The XLogP value of 1.7987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate. Following Lipinski's Rule of Five, methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate 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 methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
The CAS number of methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate is 862979-80-4.
What is the molecular formula of methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
The molecular formula of methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate is C24H25N5O4.
What is the molecular weight of methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
The molecular weight of methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate is 447.19 g/mol.
Where can I buy methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
You can request a quote for methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.