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Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate
TL;DR: Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate (CAS 727662-95-5) is a chemical compound with molecular formula C18H17N5O4 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate
Also Known As: BAS 13030684, VU0509684-1, AB00689157-01, BRD-K03653556-001-01-4, F3124-1106
| Molecular Formula | C18H17N5O4 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 0.5264 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.12805 |
| Heavy Atoms | 27 |
| Complexity | 1307.261 |
Chemical Identifiers
| CAS Number | 727662-95-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC(=O)OC)C4=CC=CC=C4 |
Product Overview
Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate (CAS 727662-95-5), with molecular formula C18H17N5O4 and molecular weight 367.13 g/mol. IUPAC: methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate.
Chemical Property Profile of Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate
Property Insights of Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate
The XLogP value of 0.5264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate has 0 hydrogen bond donor(s) and 5 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-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate?
The CAS number of Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate is 727662-95-5.
What is the molecular formula of Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate?
The molecular formula of Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate is C18H17N5O4.
What is the molecular weight of Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate?
The molecular weight of Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate is 367.13 g/mol.
Where can I buy Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate?
You can request a quote for Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-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-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.