CAS RN: 877397-71-2
(R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine
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.20251228 | 1g / 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS877397-71-2
- Purity/Analytical Methods: >99.0%
877397-71-2 / 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
Basic Information
CAS
877397-71-2
Multi CAS
Yes
Molecular Formula
C13H11CL2FN2O
Molecular Weight
301.140000
Exact Mass
300.023247
InChI
InChI=1S/C13H11Cl2FN2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(14)4-5-9(16)12(11)15/h2-7H,1H3,(H2,17,18)/t7-/m1/s1
InChIKey
IEKMAKBQCRKWLS-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.11
TPSA
48.14
LogP / Solubility
WLOGP
4.25
MLOGP
3.75
XLogP3
3.7
Consensus LogP
3.9
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
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
2
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