CAS RN: 848093-36-7
2-Amino-5-iodo-3-pyridinecarboxylic acid ethyl ester
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.20250525 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS848093-36-7
- Purity/Analytical Methods: >99.0%
848093-36-7 / ethyl 2-amino-5-iodopyridine-3-carboxylate
Basic Information
CAS
848093-36-7
Multi CAS
No
Molecular Formula
C8H9In2O2
Molecular Weight
292.070000
Exact Mass
291.970880
InChI
InChI=1S/C8H9IN2O2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)
InChIKey
AUERJZVFGXIAMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.32
TPSA
65.21
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.9
Consensus LogP
1.54
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
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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