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CAS 1338812-41-1 trans-tert-Butyl 3-hydroxy-2,2,4,4-(tetraMethyl)cyclobutylcarbaMate molecular structure lightbox
CAS RN: 1338812-41-1

trans-tert-Butyl 3-hydroxy-2,2,4,4-(tetraMethyl)cyclobutylcarbaMate

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100g In stock Shanghai Inquiry
Batchno.20260307 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250930 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260227 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260108 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260310 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250808 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-040918
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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: 5g, 10g, 25g
  • 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 1338812-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

1338812-41-1 / tert-butyl N-(3-hydroxy-2,2,4,4-tetramethylcyclobutyl)carbamate

Standard CAS: 1338812-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1338812-41-1
Multi CAS
No
Molecular Formula
C13H25NO3
Molecular Weight
243.340000
Exact Mass
243.183444
SMILES
CC1(C(C(C1O)(C)C)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H25NO3/c1-11(2,3)17-10(16)14-8-12(4,5)9(15)13(8,6)7/h8-9,15H,1-7H3,(H,14,16)
InChIKey
BRCDKHQTJYOCIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.73
TPSA
58.56

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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