F1601-0498
TL;DR: F1601-0498 (CAS 866014-91-7) is a chemical compound with molecular formula C26H23F3N4O2S and molecular weight 512.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-9-one
Also Known As: F1601-0498, 6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-17-thia-2,8-diazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),2,4,6,11(16)-pentaen-9-one, 9-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbonyl)-3,4-dihydro-1H-benzo[4,5]thieno[2,3-d]pyrido[1,2-a]pyrimidin-12(2H)-one, 6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-9-one, 9-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}CARBONYL)-1,2,3,4-TETRAHYDRO-12H-[1]BENZOTHIENO[2,3-D]PYRIDO[1,2-A]PYRIMIDIN-12-ONE
| Molecular Formula | C26H23F3N4O2S |
|---|---|
| Molecular Weight | 512.15 g/mol |
| LogP | 4.7692 |
| Topological Polar Surface Area | 57.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 512.14935 |
| Heavy Atoms | 36 |
| Complexity | 1550.8597 |
Chemical Identifiers
| CAS Number | 866014-91-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C4C=CC(=CN4C3=O)C(=O)N5CCN(CC5)C6=CC=CC(=C6)C(F)(F)F |
Product Overview
F1601-0498 (CAS 866014-91-7), with molecular formula C26H23F3N4O2S and molecular weight 512.15 g/mol. IUPAC: 6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-9-one.
Chemical Property Profile of F1601-0498
Property Insights of F1601-0498
The XLogP value of 4.7692 indicates that F1601-0498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.92 Ų, F1601-0498 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1601-0498 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0498?
The CAS number of F1601-0498 is 866014-91-7.
What is the molecular formula of F1601-0498?
The molecular formula of F1601-0498 is C26H23F3N4O2S.
What is the molecular weight of F1601-0498?
The molecular weight of F1601-0498 is 512.15 g/mol.
Where can I buy F1601-0498?
You can request a quote for F1601-0498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0498?
Yes, KEHONG BIO provides custom synthesis services for F1601-0498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.