CAS RN: 848134-24-7
3-chloro-4-(pyridin-3-ylmethoxy)aniline
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.20250509 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS848134-24-7
- Purity/Analytical Methods: >99.0%
848134-24-7 / 3-chloro-4-(pyridin-3-ylmethoxy)aniline
Basic Information
CAS
848134-24-7
Multi CAS
No
Molecular Formula
C12H11CLN2O
Molecular Weight
234.680000
Exact Mass
234.055991
InChI
InChI=1S/C12H11ClN2O/c13-11-6-10(14)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2
InChIKey
HLUUSUYPMJJHLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.43
TPSA
48.14
LogP / Solubility
WLOGP
2.9
MLOGP
2.55
XLogP3
2.3
Consensus LogP
2.58
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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