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CAS 445479-35-6 TERT-BUTYL (1S,2R)-2-(AMINOMETHYL)CYCLOPROPYLCARBAMATE molecular structure lightbox
CAS RN: 445479-35-6

TERT-BUTYL (1S,2R)-2-(AMINOMETHYL)CYCLOPROPYLCARBAMATE

  • Product code: SSC-152598
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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 445479-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

445479-35-6 / tert-butyl N-[(1S,2R)-2-(aminomethyl)cyclopropyl]carbamate

Standard CAS: 445479-35-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
445479-35-6
Multi CAS
Yes
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
InChI
InChI=1S/C8H16N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-5(6)9;/h5-6H,4,9H2,1-3H3,(H,10,11);1H/t5-,6+;/m0./s1
InChIKey
YSEZNMFHOVBUCK-RIHPBJNCSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.32
TPSA
64.35

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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