8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-82-7) is a chemical compound with molecular formula C16H16BrClN4O4 and molecular weight 442.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-Bromo-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-(2-hydroxy-3-p-chlorophenoxyprop-1-yl)theophylline, 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione
| Molecular Formula | C16H16BrClN4O4 |
|---|---|
| Molecular Weight | 442.00 g/mol |
| LogP | 1.2895 |
| Topological Polar Surface Area | 91.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.00436 |
| Heavy Atoms | 26 |
| Complexity | 1071.0189 |
Chemical Identifiers
| CAS Number | 477333-82-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-82-7), with molecular formula C16H16BrClN4O4 and molecular weight 442.00 g/mol. IUPAC: 8-bromo-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.2895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 91.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione has 1 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 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione is 477333-82-7.
What is the molecular formula of 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione is C16H16BrClN4O4.
What is the molecular weight of 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione is 442.00 g/mol.
Where can I buy 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-BR-7-(3-(4-CL-Phenoxy)-2-HO-propyl)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.