CAS RN: 59812-34-9
METHYL 3-CHLORO-6-METHYLBENZO(B)THIOPHE&
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260315 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS59812-34-9
- Purity/Analytical Methods: >99.0%
59812-34-9 / methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
Basic Information
CAS
59812-34-9
Multi CAS
No
Molecular Formula
C11H9CLO2S
Molecular Weight
240.710000
Exact Mass
240.001178
InChI
InChI=1S/C11H9ClO2S/c1-6-3-4-7-8(5-6)15-10(9(7)12)11(13)14-2/h3-5H,1-2H3
InChIKey
MGACFENQJJMRFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.91
TPSA
26.3
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
4.1
Consensus LogP
3.66
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
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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- CAS RN: 59813-89-7
- Product Code: starshine_CAS59813-89-7
- Purity/Analytical method: >99.0%
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