![CAS 945666-87-5 4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945666-87-5.gif)
CAS RN: 945666-87-5
4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS945666-87-5
- Purity/Analytical Methods: >99.0%
945666-87-5 / (4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
Basic Information
CAS
945666-87-5
Multi CAS
No
Molecular Formula
C10H10CLNO2
Molecular Weight
211.640000
Exact Mass
211.040006
InChI
InChI=1S/C10H10ClNO2/c1-6(13)14-9-3-2-7-8(11)4-5-12-10(7)9/h4-5,9H,2-3H2,1H3
InChIKey
MNKSKFGPLLEKNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.08
TPSA
39.19
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
1.6
Consensus LogP
1.97
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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