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CAS 2201551-76-8 Carbamic acid, N-(3-acetylbicyclo[1.1.1]pent-1-yl)-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 2201551-76-8

Carbamic acid, N-(3-acetylbicyclo[1.1.1]pent-1-yl)-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-105900
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • 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 2201551-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥97% 0 Out of Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

2201551-76-8 / tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate

Standard CAS: 2201551-76-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2201551-76-8
Multi CAS
No
Molecular Formula
C12H19NO3
Molecular Weight
225.280000
Exact Mass
225.136493
SMILES
CC(=O)C12CC(C1)(C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO3/c1-8(14)11-5-12(6-11,7-11)13-9(15)16-10(2,3)4/h5-7H2,1-4H3,(H,13,15)
InChIKey
SJFNZDNTKFCWMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.07
TPSA
55.4

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
0.9
Consensus LogP
1.57
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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