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CAS 500556-93-4 (1r,2s,4s)-rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane molecular structure lightbox
CAS RN: 500556-93-4

(1r,2s,4s)-rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250428 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-156371
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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: 0.1g
  • 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 500556-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

500556-93-4 / tert-butyl (1S,2R,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate

Standard CAS: 500556-93-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500556-93-4
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7/h7-9H,4-6,12H2,1-3H3/t7-,8-,9+/m0/s1
InChIKey
JRZFZVWZIJNIEQ-XHNCKOQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.48
TPSA
55.56

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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