CAS RN: 146610-21-1
BOC-L-7-AZATRP
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.20260520 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-057593
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
146610-21-1 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
Basic Information
CAS
146610-21-1
Multi CAS
No
Molecular Formula
C15H19N3O4
Molecular Weight
305.330000
Exact Mass
305.137556
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=CC=N2)C(=O)O
InChI
InChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)18-11(13(19)20)7-9-8-17-12-10(9)5-4-6-16-12/h4-6,8,11H,7H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)/t11-/m0/s1
InChIKey
FDLAXTKUGQAPTA-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
80.59
TPSA
104.31
LogP / Solubility
WLOGP
2.08
MLOGP
1.85
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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