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CAS 5891-45-2 1-tert-Butyl N-Carbobenzoxy-L-glutamate molecular structure lightbox
CAS RN: 5891-45-2

1-tert-Butyl N-Carbobenzoxy-L-glutamate

  • Product code: SSC-167279
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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: ≥97%
  • 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 5891-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 2 In Stock Shenzhen Inquiry
10g -- 2 In Stock Beijing Inquiry
25g -- 2 In Stock Hong Kong Inquiry
100g -- 2 In Stock Beijing Inquiry
500g -- 2 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

5891-45-2 / (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

Standard CAS: 5891-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5891-45-2
Multi CAS
Yes
Molecular Formula
C17H23NO6
Molecular Weight
337.400000
Exact Mass
337.152537
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1
InChIKey
GLMODRZPPBZPPB-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
86.27
TPSA
101.93

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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