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CAS 4311-12-0 2-amino-4-(propan-2-ylcarbamoyl)butanoic acid molecular structure lightbox
CAS RN: 4311-12-0

2-amino-4-(propan-2-ylcarbamoyl)butanoic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-151406
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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: 5g
  • Available purity: ≥95%
  • 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 4311-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

4311-12-0 / 2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid

Standard CAS: 4311-12-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4311-12-0
Multi CAS
Yes
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
InChI
InChI=1S/C8H16N2O3/c1-5(2)10-7(11)4-3-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey
CABXGBMKSVRWOG-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.12
TPSA
92.42

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.26
XLogP3
-3.1
Consensus LogP
-1.22
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-4.08

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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