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CAS 153645-26-2 (S)-N-BOC-TERT-LEUCINOL 98 molecular structure lightbox
CAS RN: 153645-26-2

(S)-N-BOC-TERT-LEUCINOL 98

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-063044
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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 153645-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

153645-26-2 / tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate

Standard CAS: 153645-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153645-26-2
Multi CAS
No
Molecular Formula
C11H23NO3
Molecular Weight
217.310000
Exact Mass
217.167794
SMILES
CC(C)(C)[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO3/c1-10(2,3)8(7-13)12-9(14)15-11(4,5)6/h8,13H,7H2,1-6H3,(H,12,14)/t8-/m1/s1
InChIKey
AZHJHZWFJVBGIL-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.7
TPSA
58.56

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2
Consensus LogP
1.87
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-2.68

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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