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CAS 595-40-4 L-Isovaline molecular structure lightbox
CAS RN: 595-40-4

L-Isovaline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-167968
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 595-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

595-40-4 / 2-amino-2-methylbutanoic acid

Standard CAS: 595-40-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
595-40-4
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)
InChIKey
GCHPUFAZSONQIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.52
TPSA
63.32

LogP / Solubility

WLOGP
0.2
MLOGP
0.16
XLogP3
-2.3
Consensus LogP
-0.65
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.29

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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