CAS RN: 318463-07-9
4,7-Dichloro benzothiophene
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 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS318463-07-9
- Purity/Analytical Methods: >99.0%
318463-07-9 / 4,7-dichloro-1-benzothiophene
Basic Information
CAS
318463-07-9
Multi CAS
No
Molecular Formula
C8H4CL2S
Molecular Weight
203.090000
Exact Mass
201.941077
InChI
InChI=1S/C8H4Cl2S/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H
InChIKey
JNIOIHBMZGPVRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
51.85
TPSA
28.2000
LogP / Solubility
WLOGP
4.21
MLOGP
3.7
XLogP3
4.2
Consensus LogP
4.04
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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)
-0.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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