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CAS 90600-20-7 (S)-N-Boc-allylglycine molecular structure lightbox
CAS RN: 90600-20-7

(S)-N-Boc-allylglycine

  • Product code: SSC-203159
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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, 1g
  • Available purity: >95%
  • 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 90600-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
100g >95% 3 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry

90600-20-7 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid

Standard CAS: 90600-20-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90600-20-7
Multi CAS
Yes
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
InChI
InChI=1S/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
BUPDPLXLAKNJMI-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.61
TPSA
75.63

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.7
Consensus LogP
1.53
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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