![CAS 1374601-35-0 4,5-c’]bis[1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1374601-35-0.gif)
CAS RN: 1374601-35-0
4,5-c’]bis[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.20260518 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1374601-35-0
- Purity/Analytical Methods: >99.0%
1374601-35-0 / 2,8-bis[5-bromo-4-(2-octyldodecyl)thiophen-2-yl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
Basic Information
CAS
1374601-35-0
Multi CAS
No
Molecular Formula
C54H84Br2N4S4
Molecular Weight
1077.300000
Exact Mass
1076.392510
SMILES
CCCCCCCCCCC(CCCCCCCC)CC1=C(SC(=C1)C2=C3C(=C(C4=NSN=C24)C5=CC(=C(S5)Br)CC(CCCCCCCC)CCCCCCCCCC)N=S=N3)Br
InChI
InChI=1S/C54H84Br2N4S4/c1-5-9-13-17-21-23-27-31-35-41(33-29-25-19-15-11-7-3)37-43-39-45(61-53(43)55)47-49-51(59-63-57-49)48(52-50(47)58-64-60-52)46-40-44(54(56)62-46)38-42(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h39-42H,5-38H2,1-4H3
InChIKey
QVYWAXXTMLCQKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
19
Fraction Csp3
0.74
Rotatable bonds
38
H-bond acceptors
7
Molar refractivity
295.81
TPSA
50.5
LogP / Solubility
WLOGP
22.28
MLOGP
19.71
XLogP3
28.1
Consensus LogP
23.36
Log S (ESOL)
-18.27
Class (ESOL)
Insoluble
Log S (Ali)
-24.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-29.72
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
6.53
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
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![CAS 1374635-87-6 Carbamic acid, N-[[1-[(5-bromo-2-chloro-4-pyrimidinyl)amino]cyclohexyl]methyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1374635-87-6.gif)
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