A3873/0164604
TL;DR: A3873/0164604 (CAS 728032-28-8) is a chemical compound with molecular formula C17H17BrN4O4S and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
Also Known As: A3873/0164604, 8-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-7-ethyl-1,3-dimethylpurine-2,6-dione, 8-(((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)thio)-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H17BrN4O4S |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 2.2371 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.01538 |
| Heavy Atoms | 27 |
| Complexity | 1180.606 |
Chemical Identifiers
| CAS Number | 728032-28-8 |
|---|---|
| SMILES | CCN1C2=C(N=C1SCC3=CC4=C(C=C3Br)OCO4)N(C(=O)N(C2=O)C)C |
Product Overview
A3873/0164604 (CAS 728032-28-8), with molecular formula C17H17BrN4O4S and molecular weight 452.02 g/mol. IUPAC: 8-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-7-ethyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of A3873/0164604
Property Insights of A3873/0164604
The XLogP value of 2.2371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3873/0164604. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for A3873/0164604. Following Lipinski's Rule of Five, A3873/0164604 has 0 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 A3873/0164604?
The CAS number of A3873/0164604 is 728032-28-8.
What is the molecular formula of A3873/0164604?
The molecular formula of A3873/0164604 is C17H17BrN4O4S.
What is the molecular weight of A3873/0164604?
The molecular weight of A3873/0164604 is 452.02 g/mol.
Where can I buy A3873/0164604?
You can request a quote for A3873/0164604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3873/0164604?
Yes, KEHONG BIO provides custom synthesis services for A3873/0164604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.