CAS RN: 1312949-21-5
5-(Boc-amino)-3-chloro-1-methyl-1H-indazole
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.20250808 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1312949-21-5
- Purity/Analytical Methods: >99.0%
1312949-21-5 / tert-butyl N-(3-chloro-1-methylpyrazol-5-yl)carbamate
Basic Information
CAS
1312949-21-5
Multi CAS
No
Molecular Formula
C9H14ClN3O2
Molecular Weight
231.680000
Exact Mass
231.077454
SMILES
CC(C)(C)OC(=O)NC1=CC(=NN1C)Cl
InChI
InChI=1S/C9H14ClN3O2/c1-9(2,3)15-8(14)11-7-5-6(10)12-13(7)4/h5H,1-4H3,(H,11,14)
InChIKey
QZGMVMPHSSPPJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.07
TPSA
56.15
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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