CAS RN: 53102-14-0
3-Chloro-2-cyclopenten-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.20250415 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53102-14-0
- Purity/Analytical Methods: >99.0%
53102-14-0 / 3-chlorocyclopent-2-en-1-one
Basic Information
CAS
53102-14-0
Multi CAS
No
Molecular Formula
C5H5CLO
Molecular Weight
116.540000
Exact Mass
116.002893
InChI
InChI=1S/C5H5ClO/c6-4-1-2-5(7)3-4/h3H,1-2H2
InChIKey
KGKOCLPNPRMNSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.4
H-bond acceptors
1
Molar refractivity
28.18
TPSA
17.07
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
0.9
Consensus LogP
1.22
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-2.39
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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