![Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate structure](/static/products/878/878452-10-9.png)
Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate
TL;DR: Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate (CAS 878452-10-9) is a chemical compound with molecular formula C23H23N5O4 and molecular weight 433.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate
Also Known As: BAS 15374674, VU0510658-1, F3144-0029, benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate, benzyl 2-(1,3-dimethyl-2,6-dioxo-8-(m-tolylamino)-2,3-dihydro-1H-purin-7(6H)-yl)acetate
| Molecular Formula | C23H23N5O4 |
|---|---|
| Molecular Weight | 433.18 g/mol |
| LogP | 2.22912 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.17502 |
| Heavy Atoms | 32 |
| Complexity | 1416.3389 |
Chemical Identifiers
| CAS Number | 878452-10-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC3=C(N2CC(=O)OCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate (CAS 878452-10-9), with molecular formula C23H23N5O4 and molecular weight 433.18 g/mol. IUPAC: benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate
Property Insights of Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate
The XLogP value of 2.22912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate. Following Lipinski's Rule of Five, Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-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 Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate?
The CAS number of Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate is 878452-10-9.
What is the molecular formula of Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate?
The molecular formula of Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate is C23H23N5O4.
What is the molecular weight of Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate?
The molecular weight of Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate is 433.18 g/mol.
Where can I buy Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate?
You can request a quote for Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-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 Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.