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CAS 2231676-10-9 tert-butyl N-(3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentan-1-yl)carbamate molecular structure lightbox
CAS RN: 2231676-10-9

tert-butyl N-(3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentan-1-yl)carbamate

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250930 100mg Out of stock Inquiry
Batchno.20250924 1g Out of stock Inquiry
Batchno.20251008 250mg Out of stock Inquiry
  • Product code: SSC-108861
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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: ＞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 2231676-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2231676-10-9 / tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]carbamate

Standard CAS: 2231676-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2231676-10-9
Multi CAS
No
Molecular Formula
C15H26N2O4
Molecular Weight
298.380000
Exact Mass
298.189257
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H26N2O4/c1-12(2,3)20-10(18)16-14-7-15(8-14,9-14)17-11(19)21-13(4,5)6/h7-9H2,1-6H3,(H,16,18)(H,17,19)
InChIKey
CGMNYFJKJLSKJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.05
TPSA
76.66

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
2
Consensus LogP
2.37
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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