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CAS 54831-20-8 N-ACETYL-D-(ALLO)-ISOLEUCINE molecular structure lightbox
CAS RN: 54831-20-8

N-ACETYL-D-(ALLO)-ISOLEUCINE

  • Product code: SSC-162660
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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: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 54831-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry

54831-20-8 / 2-acetamido-3-methylpentanoic acid

Standard CAS: 54831-20-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54831-20-8
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-CAHLUQPWSA-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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