![CAS 1235020-92-4 Benzaldehyde, 4,4′-(2,5-thiazolo[5,4-d]thiazolediyl)bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1235020-92-4.gif)
CAS RN: 1235020-92-4
Benzaldehyde, 4,4′-(2,5-thiazolo[5,4-d]thiazolediyl)bis-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260603 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1235020-92-4
- Purity/Analytical Methods: >99.0%
1235020-92-4 / 4-[5-(4-formylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]benzaldehyde
Basic Information
CAS
1235020-92-4
Multi CAS
No
Molecular Formula
C18H10N2O2S2
Molecular Weight
350.400000
Exact Mass
350.018370
SMILES
C1=CC(=CC=C1C=O)C2=NC3=C(S2)N=C(S3)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C18H10N2O2S2/c21-9-11-1-5-13(6-2-11)15-19-17-18(23-15)20-16(24-17)14-7-3-12(10-22)4-8-14/h1-10H
InChIKey
FOFMCTQIACZETH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
96.94
TPSA
59.92
LogP / Solubility
WLOGP
4.71
MLOGP
4.16
XLogP3
4.3
Consensus LogP
4.39
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1235036-16-4 2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylaMino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-broMo-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1235036-16-4.gif)
