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CAS 42854-54-6 VAL-GLN molecular structure lightbox
CAS RN: 42854-54-6

VAL-GLN

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250404 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-151132
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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: ≥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 42854-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

42854-54-6 / 5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid

Standard CAS: 42854-54-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42854-54-6
Multi CAS
Yes
Molecular Formula
C10H19N3O4
Molecular Weight
245.280000
Exact Mass
245.137556
InChI
InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKey
XXDVDTMEVBYRPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
60.81
TPSA
135.51

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.05
XLogP3
-4.6
Consensus LogP
-2.28
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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