AB00675052-01
TL;DR: AB00675052-01 (CAS 866728-45-2) is a chemical compound with molecular formula C26H20FN3O2 and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethylphenyl)-8-[(4-fluorophenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene
Also Known As: AB00675052-01, F1604-0555, 3-(4-ethylphenyl)-5-(4-fluorobenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline, 5-(4-ethylphenyl)-8-[(4-fluorophenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene, 5-(4-ethylphenyl)-8-[(4-fluorophenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene
| Molecular Formula | C26H20FN3O2 |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 5.6816 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.15396 |
| Heavy Atoms | 32 |
| Complexity | 1408.3429 |
Chemical Identifiers
| CAS Number | 866728-45-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=NN=C3C2=CN(C4=CC5=C(C=C43)OCO5)CC6=CC=C(C=C6)F |
Product Overview
AB00675052-01 (CAS 866728-45-2), with molecular formula C26H20FN3O2 and molecular weight 425.15 g/mol. IUPAC: 5-(4-ethylphenyl)-8-[(4-fluorophenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene.
Chemical Property Profile of AB00675052-01
Property Insights of AB00675052-01
The XLogP value of 5.6816 indicates that AB00675052-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, AB00675052-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00675052-01 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00675052-01?
The CAS number of AB00675052-01 is 866728-45-2.
What is the molecular formula of AB00675052-01?
The molecular formula of AB00675052-01 is C26H20FN3O2.
What is the molecular weight of AB00675052-01?
The molecular weight of AB00675052-01 is 425.15 g/mol.
Where can I buy AB00675052-01?
You can request a quote for AB00675052-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675052-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675052-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.