CAS RN: 877397-70-1
(R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250803 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS877397-70-1
- Purity/Analytical Methods: >99.0%
877397-70-1 / 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-nitropyridine
Basic Information
CAS
877397-70-1
Multi CAS
Yes
Molecular Formula
C13H9CL2FN2O3
Molecular Weight
331.120000
Exact Mass
329.997426
InChI
InChI=1S/C13H9Cl2FN2O3/c1-7(11-8(14)4-5-9(16)12(11)15)21-10-3-2-6-17-13(10)18(19)20/h2-7H,1H3/t7-/m1/s1
InChIKey
VGDOUCIQKWTGJY-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
76.35
TPSA
65.26
LogP / Solubility
WLOGP
4.58
MLOGP
4.04
XLogP3
4.2
Consensus LogP
4.27
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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