CAS RN: 639084-05-2
tert-Butyl 3-iodo-7-methoxy-1H-indazole-1-carboxylate
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.20260210 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS639084-05-2
- Purity/Analytical Methods: >99.0%
639084-05-2 / tert-butyl 3-iodo-7-methoxyindazole-1-carboxylate
Basic Information
CAS
639084-05-2
Multi CAS
No
Molecular Formula
C13H15In2O3
Molecular Weight
374.170000
Exact Mass
374.012740
InChI
InChI=1S/C13H15IN2O3/c1-13(2,3)19-12(17)16-10-8(11(14)15-16)6-5-7-9(10)18-4/h5-7H,1-4H3
InChIKey
HFJZJGMJVPARQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
80.63
TPSA
53.35
LogP / Solubility
WLOGP
3.43
MLOGP
3.04
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57
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
1.5
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