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CAS 149650-08-8 (E)-ethyl 4-((tert-butoxycarbonyl)(methyl)amino)but-2-enoate(WXC04756) molecular structure lightbox
CAS RN: 149650-08-8

(E)-ethyl 4-((tert-butoxycarbonyl)(methyl)amino)but-2-enoate(WXC04756)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251202 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-059610
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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 149650-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

149650-08-8 / ethyl (E)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate

Standard CAS: 149650-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149650-08-8
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CCOC(=O)/C=C/CN(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-6-16-10(14)8-7-9-13(5)11(15)17-12(2,3)4/h7-8H,6,9H2,1-5H3/b8-7+
InChIKey
SBZUSLOEYRVCLL-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
64.64
TPSA
55.84

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-2.8

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
1.5

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