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CAS 54895-12-4 BOC-DL-VALINE molecular structure lightbox
CAS RN: 54895-12-4

BOC-DL-VALINE

  • Product code: SSC-162713
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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: 10g, 25g, 100g, 5g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 54895-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
25g >98% 5 In Stock Shanghai Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
5g >98% 4 In Stock Shanghai Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry

54895-12-4 / 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 54895-12-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54895-12-4
Multi CAS
Yes
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
InChI
InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)
InChIKey
SZXBQTSZISFIAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.63
TPSA
75.63

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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