AB00685514-01
TL;DR: AB00685514-01 (CAS 683790-68-3) is a chemical compound with molecular formula C16H17BrN6O3 and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione
Also Known As: AB00685514-01, AB00685514-02, F1064-0141, (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione
| Molecular Formula | C16H17BrN6O3 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 1.6603 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.05453 |
| Heavy Atoms | 26 |
| Complexity | 1111.5962 |
Chemical Identifiers
| CAS Number | 683790-68-3 |
|---|---|
| SMILES | CCN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C |
Product Overview
AB00685514-01 (CAS 683790-68-3), with molecular formula C16H17BrN6O3 and molecular weight 420.05 g/mol. IUPAC: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione.
Chemical Property Profile of AB00685514-01
Property Insights of AB00685514-01
The XLogP value of 1.6603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685514-01. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685514-01. Following Lipinski's Rule of Five, AB00685514-01 has 2 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 AB00685514-01?
The CAS number of AB00685514-01 is 683790-68-3.
What is the molecular formula of AB00685514-01?
The molecular formula of AB00685514-01 is C16H17BrN6O3.
What is the molecular weight of AB00685514-01?
The molecular weight of AB00685514-01 is 420.05 g/mol.
Where can I buy AB00685514-01?
You can request a quote for AB00685514-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685514-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685514-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.