1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- (CAS 101072-13-3) is a chemical compound with molecular formula C14H11BrN4O5 and molecular weight 393.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-, 8-Bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione, 8-bromo-7-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione, 8-Bromo-7-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, BRN 5633493
| Molecular Formula | C14H11BrN4O5 |
|---|---|
| Molecular Weight | 393.99 g/mol |
| LogP | 0.4799 |
| Topological Polar Surface Area | 130.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.99127 |
| Heavy Atoms | 24 |
| Complexity | 1094.9635 |
Chemical Identifiers
| CAS Number | 101072-13-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC(=C(C=C3)O)O |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- (CAS 101072-13-3), with molecular formula C14H11BrN4O5 and molecular weight 393.99 g/mol. IUPAC: 8-bromo-7-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-
The XLogP value of 0.4799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-. The TPSA of 130.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- has 3 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 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- is 101072-13-3.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- is C14H11BrN4O5.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- is 393.99 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.