F2561-0048
TL;DR: F2561-0048 (CAS 877814-16-9) is a chemical compound with molecular formula C24H25FN4O2 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[6-(3,4-dimethoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-2-yl]methyl]-4-fluoroaniline
Also Known As: F2561-0048, N-((1-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulen-4-yl)methyl)-4-fluoroaniline, N-{[6-(3,4-dimethoxyphenyl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-trien-2-yl]methyl}-4-fluoroaniline, N-[[6-(3,4-dimethoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-2-yl]methyl]-4-fluoroaniline, {[6-(3,4-dimethoxyphenyl)-1,3,4-triazatricyclo[5.4.1.0,(1)(2)]dodeca-2,5,7(12)-trien-2-yl]methyl}(p-fluorophenyl)amine
| Molecular Formula | C24H25FN4O2 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 4.9075 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.19617 |
| Heavy Atoms | 31 |
| Complexity | 1226.8372 |
Chemical Identifiers
| CAS Number | 877814-16-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CN3C4=C2CCCCN4C(=N3)CNC5=CC=C(C=C5)F)OC |
Product Overview
F2561-0048 (CAS 877814-16-9), with molecular formula C24H25FN4O2 and molecular weight 420.20 g/mol. IUPAC: N-[[6-(3,4-dimethoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-2-yl]methyl]-4-fluoroaniline.
Chemical Property Profile of F2561-0048
Property Insights of F2561-0048
The XLogP value of 4.9075 indicates that F2561-0048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.72 Ų, F2561-0048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F2561-0048 has 1 hydrogen bond donor(s) and 4 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 F2561-0048?
The CAS number of F2561-0048 is 877814-16-9.
What is the molecular formula of F2561-0048?
The molecular formula of F2561-0048 is C24H25FN4O2.
What is the molecular weight of F2561-0048?
The molecular weight of F2561-0048 is 420.20 g/mol.
Where can I buy F2561-0048?
You can request a quote for F2561-0048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2561-0048?
Yes, KEHONG BIO provides custom synthesis services for F2561-0048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.