AF-833/12533001
TL;DR: AF-833/12533001 (CAS 342786-18-9) is a chemical compound with molecular formula C18H17BrN2O2 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobutyl)-3-phenylphthalazine-1,4-dione
Also Known As: 2-(4-bromobutyl)-3-phenylphthalazine-1,4-dione, 2-(4-bromobutyl)-3-phenyl-2,3-dihydro-1,4-phthalazinedione, 1,4-Phthalazinedione, 2-(4-bromobutyl)-2,3-dihydro-3-phenyl-, 2-(4-bromobutyl)-3-phenyl-2,3-dihydrophthalazine-1,4-dione, 3,6-Pyridazinedione, 1,1'-(1,3-propanediyl)bis[1,2-dihydro-2-phenyl-
| Molecular Formula | C18H17BrN2O2 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 3.3275 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.04733 |
| Heavy Atoms | 23 |
| Complexity | 929.1447 |
Chemical Identifiers
| CAS Number | 342786-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=O)N2CCCCBr |
Product Overview
AF-833/12533001 (CAS 342786-18-9), with molecular formula C18H17BrN2O2 and molecular weight 372.05 g/mol. IUPAC: 2-(4-bromobutyl)-3-phenylphthalazine-1,4-dione.
Chemical Property Profile of AF-833/12533001
Property Insights of AF-833/12533001
The XLogP value of 3.3275 indicates that AF-833/12533001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, AF-833/12533001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-833/12533001 has 0 hydrogen bond donor(s) and 2 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 AF-833/12533001?
The CAS number of AF-833/12533001 is 342786-18-9.
What is the molecular formula of AF-833/12533001?
The molecular formula of AF-833/12533001 is C18H17BrN2O2.
What is the molecular weight of AF-833/12533001?
The molecular weight of AF-833/12533001 is 372.05 g/mol.
Where can I buy AF-833/12533001?
You can request a quote for AF-833/12533001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-833/12533001?
Yes, KEHONG BIO provides custom synthesis services for AF-833/12533001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.