(3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate
TL;DR: (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate (CAS 852230-34-3) is a chemical compound with molecular formula C20H23BrN4O5 and molecular weight 478.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-(5-bromofuran-2-yl)prop-2-enoate
Also Known As: (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate, (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-(5-bromo-2-furyl)prop-2-enoate, (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-(5-bromofuran-2-yl)prop-2-enoate, (3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3-(5-bromofuran-2-yl)prop-2-enoate
| Molecular Formula | C20H23BrN4O5 |
|---|---|
| Molecular Weight | 478.09 g/mol |
| LogP | 3.2085 |
| Topological Polar Surface Area | 112.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.08517 |
| Heavy Atoms | 30 |
| Complexity | 1184.2214 |
Chemical Identifiers
| CAS Number | 852230-34-3 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC3=CC=C(O3)Br)CCC |
Product Overview
(3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate (CAS 852230-34-3), with molecular formula C20H23BrN4O5 and molecular weight 478.09 g/mol. IUPAC: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-(5-bromofuran-2-yl)prop-2-enoate.
Chemical Property Profile of (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate
Property Insights of (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate
The XLogP value of 3.2085 indicates that (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate. Following Lipinski's Rule of Five, (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate 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 (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate?
The CAS number of (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate is 852230-34-3.
What is the molecular formula of (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate?
The molecular formula of (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate is C20H23BrN4O5.
What is the molecular weight of (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate?
The molecular weight of (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate is 478.09 g/mol.
Where can I buy (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate?
You can request a quote for (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl 3-(5-bromo-2-furanyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.