CAS RN: 29683-77-0
2-(CHLOROACETYL)THIOPHENE
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.20250121 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS29683-77-0
- Purity/Analytical Methods: >99.0%
29683-77-0 / 2-chloro-1-thiophen-2-ylethanone
Basic Information
CAS
29683-77-0
Multi CAS
No
Molecular Formula
C6H5CLOS
Molecular Weight
160.620000
Exact Mass
159.974964
InChI
InChI=1S/C6H5ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKey
KHOWLHQEABZKNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.37
TPSA
17.07
LogP / Solubility
WLOGP
2.17
MLOGP
1.9
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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