CBKinase1_008614
TL;DR: CBKinase1_008614 (CAS 625376-54-7) is a chemical compound with molecular formula C18H10F3N3O4S and molecular weight 421.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(2,3-dihydro-1,4-benzodioxin-6-yl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Also Known As: CBKinase1_008614, CBKinase1_021014, 11-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one, AM-807/41462096, BRD-K29845472-001-01-7
| Molecular Formula | C18H10F3N3O4S |
|---|---|
| Molecular Weight | 421.03 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 421.03442 |
| Heavy Atoms | 29 |
| Complexity | 1403.9891 |
Chemical Identifiers
| CAS Number | 625376-54-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NC4=C(C(=C3)C(F)(F)F)C5=C(S4)C(=O)NC(=O)N5 |
Product Overview
CBKinase1_008614 (CAS 625376-54-7), with molecular formula C18H10F3N3O4S and molecular weight 421.03 g/mol. IUPAC: 11-(2,3-dihydro-1,4-benzodioxin-6-yl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
Chemical Property Profile of CBKinase1_008614
Property Insights of CBKinase1_008614
The XLogP value of 3.2831 indicates that CBKinase1_008614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008614. Following Lipinski's Rule of Five, CBKinase1_008614 has 2 hydrogen bond donor(s) and 6 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 CBKinase1_008614?
The CAS number of CBKinase1_008614 is 625376-54-7.
What is the molecular formula of CBKinase1_008614?
The molecular formula of CBKinase1_008614 is C18H10F3N3O4S.
What is the molecular weight of CBKinase1_008614?
The molecular weight of CBKinase1_008614 is 421.03 g/mol.
Where can I buy CBKinase1_008614?
You can request a quote for CBKinase1_008614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008614?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.