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CAS 1399861-03-0 ε-N-Crotonyllysine molecular structure lightbox
CAS RN: 1399861-03-0

ε-N-Crotonyllysine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-050446
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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, 5g
  • 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 1399861-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1399861-03-0 / (2S)-2-amino-6-[[(E)-but-2-enoyl]amino]hexanoic acid

Standard CAS: 1399861-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1399861-03-0
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1
InChIKey
IZHPCCLNIDDVFG-NCJLJLRUSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.29
TPSA
92.42

LogP / Solubility

WLOGP
0.26
MLOGP
0.23
XLogP3
-2.2
Consensus LogP
-0.57
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-3.84

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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