![CAS 1007128-74-6 4,7-bis(2-thienyl)thieno[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007128-74-6.gif)
CAS RN: 1007128-74-6
4,7-bis(2-thienyl)thieno[3,4-c]pyridine
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.20260506 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1007128-74-6
- Purity/Analytical Methods: >99.0%
1007128-74-6 / 4,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-c]pyridine
4,7-Di(thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine | PT-2Th | SCHEMBL1172883
Basic Information
CAS
1007128-74-6
Multi CAS
No
Molecular Formula
C13H7N3S3
Molecular Weight
301.400000
Exact Mass
300.980211
SMILES
C1=CSC(=C1)C2=CN=C(C3=NSN=C23)C4=CC=CS4
InChI
InChI=1S/C13H7N3S3/c1-3-9(17-5-1)8-7-14-12(10-4-2-6-18-10)13-11(8)15-19-16-13/h1-7H
InChIKey
VIIFSDQVOHEEHN-UHFFFAOYSA-N
Synonyms
4,7-Di(thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
PT-2Th
SCHEMBL1172883
C13H7N3S3
VIIFSDQVOHEEHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
81.84
TPSA
38.67
LogP / Solubility
WLOGP
4.54
MLOGP
4.01
XLogP3
3.4
Consensus LogP
3.98
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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