12T-0894
TL;DR: 12T-0894 (CAS 860785-41-7) is a chemical compound with molecular formula C20H13F6N3O and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,18-bis(trifluoromethyl)-3,13,19-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
Also Known As: 12T-0894, 2,4-bis(trifluoromethyl)-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[1,2-g][1,6]naphthyridin-5(7H)-one, 16,18-bis(trifluoromethyl)-3,13,19-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7,15(20),16,18-heptaen-14-one, 16,18-bis(trifluoromethyl)-3,13,19-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one, 16,18-bis(trifluoromethyl)-3,13,19-triazapentacyclo[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
| Molecular Formula | C20H13F6N3O |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 4.8962 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 425.09628 |
| Heavy Atoms | 30 |
| Complexity | 1193.6956 |
Chemical Identifiers
| CAS Number | 860785-41-7 |
|---|---|
| SMILES | C1CN2C(CC3=C(C2=O)C(=CC(=N3)C(F)(F)F)C(F)(F)F)C4=C1C5=CC=CC=C5N4 |
Product Overview
12T-0894 (CAS 860785-41-7), with molecular formula C20H13F6N3O and molecular weight 425.10 g/mol. IUPAC: 16,18-bis(trifluoromethyl)-3,13,19-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one.
Chemical Property Profile of 12T-0894
Property Insights of 12T-0894
The XLogP value of 4.8962 indicates that 12T-0894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.99 Ų, 12T-0894 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12T-0894 has 1 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 12T-0894?
The CAS number of 12T-0894 is 860785-41-7.
What is the molecular formula of 12T-0894?
The molecular formula of 12T-0894 is C20H13F6N3O.
What is the molecular weight of 12T-0894?
The molecular weight of 12T-0894 is 425.10 g/mol.
Where can I buy 12T-0894?
You can request a quote for 12T-0894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12T-0894?
Yes, KEHONG BIO provides custom synthesis services for 12T-0894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.