CAS RN: 32427-77-3
1-(5-CHLOROTHIEN-2-YL)BUTAN-1-ONE
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.20260316 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS32427-77-3
- Purity/Analytical Methods: >99.0%
32427-77-3 / 1-(5-chlorothiophen-2-yl)butan-1-one
Basic Information
CAS
32427-77-3
Multi CAS
No
Molecular Formula
C8H9CLOS
Molecular Weight
188.670000
Exact Mass
188.006264
InChI
InChI=1S/C8H9ClOS/c1-2-3-6(10)7-4-5-8(9)11-7/h4-5H,2-3H2,1H3
InChIKey
BIDANQRTCBSNEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
48.57
TPSA
17.07
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
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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