butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate
TL;DR: butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate (CAS 300586-75-8) is a chemical compound with molecular formula C26H29N5O4 and molecular weight 475.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxopurin-1-yl]acetate
Also Known As: butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate, Butyl 2-[7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-purin-1-yl]acetate, butyl 2-[7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxopurin-1-yl]acetate
| Molecular Formula | C26H29N5O4 |
|---|---|
| Molecular Weight | 475.22 g/mol |
| LogP | 2.9004 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.22195 |
| Heavy Atoms | 35 |
| Complexity | 1421.6472 |
Chemical Identifiers
| CAS Number | 300586-75-8 |
|---|---|
| SMILES | CCCCOC(=O)CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)NCC4=CC=CC=C4)N(C1=O)C |
Product Overview
butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate (CAS 300586-75-8), with molecular formula C26H29N5O4 and molecular weight 475.22 g/mol. IUPAC: butyl 2-[7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxopurin-1-yl]acetate.
Chemical Property Profile of butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate
Property Insights of butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate
The XLogP value of 2.9004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate. Following Lipinski's Rule of Five, butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-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 butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate?
The CAS number of butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate is 300586-75-8.
What is the molecular formula of butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate?
The molecular formula of butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate is C26H29N5O4.
What is the molecular weight of butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate?
The molecular weight of butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate is 475.22 g/mol.
Where can I buy butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate?
You can request a quote for butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-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 butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-(7-benzyl-8-(benzylamino)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.