F2561-0005
TL;DR: F2561-0005 (CAS 877813-99-5) is a chemical compound with molecular formula C24H25N3O3 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-2-(phenoxymethyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
Also Known As: F2561-0005, 1-(3,4-dimethoxyphenyl)-4-(phenoxymethyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene, 6-(3,4-dimethoxyphenyl)-2-(phenoxymethyl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene, 6-(3,4-dimethoxyphenyl)-2-(phenoxymethyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
| Molecular Formula | C24H25N3O3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 4.7353 |
| Topological Polar Surface Area | 49.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1896 |
| Heavy Atoms | 30 |
| Complexity | 1177.5999 |
Chemical Identifiers
| CAS Number | 877813-99-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CN3C4=C2CCCCN4C(=N3)COC5=CC=CC=C5)OC |
Product Overview
F2561-0005 (CAS 877813-99-5), with molecular formula C24H25N3O3 and molecular weight 403.19 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-2-(phenoxymethyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
Chemical Property Profile of F2561-0005
Property Insights of F2561-0005
The XLogP value of 4.7353 indicates that F2561-0005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.92 Ų, F2561-0005 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F2561-0005 has 0 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 F2561-0005?
The CAS number of F2561-0005 is 877813-99-5.
What is the molecular formula of F2561-0005?
The molecular formula of F2561-0005 is C24H25N3O3.
What is the molecular weight of F2561-0005?
The molecular weight of F2561-0005 is 403.19 g/mol.
Where can I buy F2561-0005?
You can request a quote for F2561-0005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2561-0005?
Yes, KEHONG BIO provides custom synthesis services for F2561-0005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.