![CAS 2433725-51-8 2＇,3＇:5,6]benzo[1,2-c][1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2433725-51-8.gif)
CAS RN: 2433725-51-8
2＇,3＇:5,6]benzo[1,2-c][1,2,5]thiadiazole
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.20251119 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2433725-51-8
- Purity/Analytical Methods: >99.0%
2433725-51-8 / 9,14-bis[5-bromo-4-(2-butyloctyl)thiophen-2-yl]-4,10,13-trithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaene
Basic Information
CAS
2433725-51-8
Multi CAS
No
Molecular Formula
C42H54Br2N2S5
Molecular Weight
907.000000
Exact Mass
906.123680
SMILES
CCCCCCC(CCCC)CC1=C(SC(=C1)C2=CC3=C(S2)C4=C(C=C(S4)C5=CC(=C(S5)Br)CC(CCCC)CCCCCC)C6=NSN=C36)Br
InChI
InChI=1S/C42H54Br2N2S5/c1-5-9-13-15-19-27(17-11-7-3)21-29-23-33(49-41(29)43)35-25-31-37-38(46-51-45-37)32-26-36(48-40(32)39(31)47-35)34-24-30(42(44)50-34)22-28(18-12-8-4)20-16-14-10-6-2/h23-28H,5-22H2,1-4H3
InChIKey
LRYLVBFSNDXVDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
25
Fraction Csp3
0.57
Rotatable bonds
22
H-bond acceptors
7
Molar refractivity
241.16
TPSA
25.78
LogP / Solubility
WLOGP
17.74
MLOGP
15.7
XLogP3
19.5
Consensus LogP
17.65
Log S (ESOL)
-15.55
Class (ESOL)
Insoluble
Log S (Ali)
-19.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.92
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)
4.34
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
6.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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