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CAS 45214-91-3 BOC-GLU(OME)-OH molecular structure lightbox
CAS RN: 45214-91-3

BOC-GLU(OME)-OH

  • Product code: SSC-153027
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: ＞98%
  • Inventory rows with stock: 5
  • 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 45214-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞98% 5 In Stock Beijing Inquiry
10g ＞98% 5 In Stock Hong Kong Inquiry
25g ＞98% 5 In Stock Hong Kong Inquiry
100g ＞98% 4 In Stock Hong Kong Inquiry
500g ＞98% 2 In Stock Beijing Inquiry

45214-91-3 / 5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Standard CAS: 45214-91-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45214-91-3
Multi CAS
Yes
Molecular Formula
C11H19NO6
Molecular Weight
261.270000
Exact Mass
261.121237
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKey
OHYMUFVCRVPMEY-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.04
TPSA
101.93

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.7
Consensus LogP
0.81
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

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

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