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CAS 201217-86-9 (2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid molecular structure lightbox
CAS RN: 201217-86-9

(2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260128 100g In stock Shanghai Inquiry
Batchno.20250917 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260627 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260103 25g Out of stock Inquiry
Batchno.20251026 5g In stock Shanghai Inquiry
  • Product code: SSC-094930
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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 201217-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

201217-86-9 / (2R,3S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 201217-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201217-86-9
Multi CAS
No
Molecular Formula
C13H25NO5
Molecular Weight
275.340000
Exact Mass
275.173273
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C13H25NO5/c1-8(18-12(2,3)4)9(10(15)16)14-11(17)19-13(5,6)7/h8-9H,1-7H3,(H,14,17)(H,15,16)/t8-,9+/m0/s1
InChIKey
LKRXXARJBFBMCE-DTWKUNHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.09
TPSA
84.86

LogP / Solubility

WLOGP
2.17
MLOGP
1.92
XLogP3
1.8
Consensus LogP
1.96
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

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

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