![CAS 878011-44-0 3H-IMidazo[4,5-b]pyridine-3-carboxylic acid, 7-chloro-5-nitro-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878011-44-0.gif)
CAS RN: 878011-44-0
3H-IMidazo[4,5-b]pyridine-3-carboxylic acid, 7-chloro-5-nitro-, 1,1-diMethylethyl 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.20250920 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS878011-44-0
- Purity/Analytical Methods: >99.0%
878011-44-0 / tert-butyl 7-chloro-5-nitroimidazo[4,5-b]pyridine-3-carboxylate
Basic Information
CAS
878011-44-0
Multi CAS
No
Molecular Formula
C11H11CLN4O4
Molecular Weight
298.680000
Exact Mass
298.046883
InChI
InChI=1S/C11H11ClN4O4/c1-11(2,3)20-10(17)15-5-13-8-6(12)4-7(16(18)19)14-9(8)15/h4-5H,1-3H3
InChIKey
MEAFVCNDWZKBPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
70.82
TPSA
100.15
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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