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CAS 53940-90-2 (R)-2-(tert-butoxycarbonylamino)-2,3-dimethylbutanoic acid molecular structure lightbox
CAS RN: 53940-90-2

(R)-2-(tert-butoxycarbonylamino)-2,3-dimethylbutanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-161370
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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 53940-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

53940-90-2 / (2R)-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 53940-90-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53940-90-2
Multi CAS
Yes
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
InChI
InChI=1S/C11H21NO4/c1-7(2)11(6,8(13)14)12-9(15)16-10(3,4)5/h7H,1-6H3,(H,12,15)(H,13,14)/t11-/m0/s1
InChIKey
MXPBQQXWXZWBMK-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.25
TPSA
75.63

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-2.7

Drug-likeness / Medicinal Chemistry

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

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