CAS RN: 1221184-53-7
1,2-di(3-thienyl)benzene
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.20250320 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1221184-53-7
- Purity/Analytical Methods: >99.0%
1221184-53-7 / 3-(2-thiophen-3-ylphenyl)thiophene
Basic Information
CAS
1221184-53-7
Multi CAS
No
Molecular Formula
C14H10S2
Molecular Weight
242.400000
Exact Mass
242.022393
SMILES
C1=CC=C(C(=C1)C2=CSC=C2)C3=CSC=C3
InChI
InChI=1S/C14H10S2/c1-2-4-14(12-6-8-16-10-12)13(3-1)11-5-7-15-9-11/h1-10H
InChIKey
ZOYNWUCLHBJRRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
73.07
TPSA
56.5000
LogP / Solubility
WLOGP
5.14
MLOGP
4.53
XLogP3
4.5
Consensus LogP
4.72
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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