CAS RN: 2269476-13-1
PTQ10
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2269476-13-1
- Purity/Analytical Methods: >99.0%
2269476-13-1 / 5,8-dibromo-6,7-difluoro-2-(2-hexyldecoxy)quinoxaline;trimethyl-(5-trimethylstannylthiophen-2-yl)stannane
Basic Information
CAS
2269476-13-1
Multi CAS
No
Molecular Formula
C34H54Br2F2N2OSSn2
Molecular Weight
974.100000
Exact Mass
974.030930
SMILES
CCCCCCCCC(CCCCCC)COC1=CN=C2C(=C(C(=C(C2=N1)Br)F)F)Br.C[Sn](C)(C)C1=CC=C(S1)[Sn](C)(C)C
InChI
InChI=1S/C24H34Br2F2N2O.C4H2S.6CH3.2Sn/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)16-31-18-15-29-23-19(25)21(27)22(28)20(26)24(23)30-18;1-2-4-5-3-1;;;;;;;;/h15,17H,3-14,16H2,1-2H3;1-2H;6*1H3;;
InChIKey
JEDSDDOPOCJDEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
15
Fraction Csp3
0.65
Rotatable bonds
17
H-bond acceptors
4
Molar refractivity
200.87
TPSA
35.01
LogP / Solubility
WLOGP
11.99
MLOGP
10.64
XLogP3
11.99
Consensus LogP
11.54
Log S (ESOL)
-12.56
Class (ESOL)
Insoluble
Log S (Ali)
-16.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.15
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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