CAS RN: 91867-42-4
ethyl 4-amino-3,5,6-trichloro-2-pyridinecarboxylate
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.20251101 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91867-42-4
- Purity/Analytical Methods: >99.0%
91867-42-4 / ethyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Basic Information
CAS
91867-42-4
Multi CAS
No
Molecular Formula
C8H7CL3N2O2
Molecular Weight
269.500000
Exact Mass
267.957311
InChI
InChI=1S/C8H7Cl3N2O2/c1-2-15-8(14)6-3(9)5(12)4(10)7(11)13-6/h2H2,1H3,(H2,12,13)
InChIKey
NXGNYAVXQNLQRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.64
TPSA
65.21
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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