C17H17BrN6O5
TL;DR: C17H17BrN6O5 (CAS 799809-60-2) is a chemical compound with molecular formula C17H17BrN6O5 and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: (E)-8-(2-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)hydrazinyl)-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-{(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H17BrN6O5 |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 0.3632 |
| Topological Polar Surface Area | 124.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.04437 |
| Heavy Atoms | 29 |
| Complexity | 1258.1478 |
Chemical Identifiers
| CAS Number | 799809-60-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC4=C(C=C3Br)OCO4)CCO |
Product Overview
C17H17BrN6O5 (CAS 799809-60-2), with molecular formula C17H17BrN6O5 and molecular weight 464.04 g/mol. IUPAC: 8-[(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of C17H17BrN6O5
Property Insights of C17H17BrN6O5
The XLogP value of 0.3632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H17BrN6O5. The TPSA of 124.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H17BrN6O5. Following Lipinski's Rule of Five, C17H17BrN6O5 has 2 hydrogen bond donor(s) and 8 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 C17H17BrN6O5?
The CAS number of C17H17BrN6O5 is 799809-60-2.
What is the molecular formula of C17H17BrN6O5?
The molecular formula of C17H17BrN6O5 is C17H17BrN6O5.
What is the molecular weight of C17H17BrN6O5?
The molecular weight of C17H17BrN6O5 is 464.04 g/mol.
Where can I buy C17H17BrN6O5?
You can request a quote for C17H17BrN6O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H17BrN6O5?
Yes, KEHONG BIO provides custom synthesis services for C17H17BrN6O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.