CAS RN: 881734-66-3
(6-CHLORO-3-PYRIDINYL)METHYL ACETATE
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.20250108 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS881734-66-3
- Purity/Analytical Methods: >99.0%
881734-66-3 / (6-chloro-3-pyridinyl)methyl acetate
Basic Information
CAS
881734-66-3
Multi CAS
No
Molecular Formula
C8H8CLNO2
Molecular Weight
185.610000
Exact Mass
185.024356
InChI
InChI=1S/C8H8ClNO2/c1-6(11)12-5-7-2-3-8(9)10-4-7/h2-4H,5H2,1H3
InChIKey
LWRPSHVPTVBZEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.72
TPSA
39.19
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.58
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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