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CAS 74761-42-5 N-(Methoxycarbonyl)-L-valine molecular structure lightbox
CAS RN: 74761-42-5

N-(Methoxycarbonyl)-L-valine

  • Product code: SSC-184228
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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: 25g, 100g, 5g, 10g, 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 74761-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 3 In Stock Shanghai Inquiry
10g ≥98% 2 In Stock Beijing Inquiry
500g ≥98% 1 In Stock Shanghai Inquiry

74761-42-5 / (2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid

Standard CAS: 74761-42-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74761-42-5
Multi CAS
Yes
Molecular Formula
C7H13NO4
Molecular Weight
175.180000
Exact Mass
175.084458
InChI
InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m0/s1
InChIKey
CEFVHPDFGLDQKU-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.8
TPSA
75.63

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
0.9
Consensus LogP
0.58
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-3.47

Drug-likeness / Medicinal Chemistry

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

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