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CAS 129786-68-1 BOC-ALPHA-ALLYL-L-ALANINE molecular structure lightbox
CAS RN: 129786-68-1

BOC-ALPHA-ALLYL-L-ALANINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250721 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-036631
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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 129786-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

129786-68-1 / (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid

Standard CAS: 129786-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129786-68-1
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
C[C@@](CC=C)(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-6-7-11(5,8(13)14)12-9(15)16-10(2,3)4/h6H,1,7H2,2-5H3,(H,12,15)(H,13,14)/t11-/m1/s1
InChIKey
XVMAKOPYGXUPPU-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.22
TPSA
75.63

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-2.75

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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