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CAS 188359-23-1 L-Isoleucine, 2-methyl- (9CI) molecular structure lightbox
CAS RN: 188359-23-1

L-Isoleucine, 2-methyl- (9CI)

  • Product code: SSC-087633
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 188359-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

188359-23-1 / (2S,3S)-2-amino-2,3-dimethylpentanoic acid

Standard CAS: 188359-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188359-23-1
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CC[C@H](C)[C@@](C)(C(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-4-5(2)7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-,7-/m0/s1
InChIKey
RSPOGBIHKNKRFJ-FSPLSTOPSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.68
TPSA
63.32

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
-1.5
Consensus LogP
0.02
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.01

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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