CAS RN: 3077-46-1
N-Acetyl-L-isoleucine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-135755
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: 10g, 25g, 5g, 100g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | -- | 4 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 25g | -- | 4 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 5g | -- | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
3077-46-1 / 2-acetamido-3-methylpentanoic acid
Basic Information
CAS
3077-46-1
Multi CAS
Yes
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
InChI
InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7-/m0/s1
InChIKey
JDTWZSUNGHMMJM-FSPLSTOPSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.7
TPSA
66.4
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- Purity/Analytical method: >99.0%
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