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CAS 151436-20-3 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (2S)- molecular structure lightbox
CAS RN: 151436-20-3

4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (2S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-061279
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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 151436-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

151436-20-3 / tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate

Standard CAS: 151436-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151436-20-3
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)[C@H](CC=C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-8-9-10(11(16)18-13(2,3)4)15-12(17)19-14(5,6)7/h8,10H,1,9H2,2-7H3,(H,15,17)/t10-/m0/s1
InChIKey
KBQGZWJDMSGALX-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.82
TPSA
64.63

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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