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CAS 45121-22-0 BOC-D-ABU-OH molecular structure lightbox
CAS RN: 45121-22-0

BOC-D-ABU-OH

  • Product code: SSC-152948
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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, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 45121-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

45121-22-0 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 45121-22-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45121-22-0
Multi CAS
Yes
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
InChI
InChI=1S/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKey
PNFVIPIQXAIUAY-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.08
TPSA
75.63

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.5
Consensus LogP
1.36
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.98

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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