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CAS 873221-70-6 (S)-tert-butyl 1-(methylamino)propan-2-ylcarbamate molecular structure lightbox
CAS RN: 873221-70-6

(S)-tert-butyl 1-(methylamino)propan-2-ylcarbamate

  • Product code: SSC-197140
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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: ≥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 873221-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

873221-70-6 / tert-butyl N-[(2S)-1-(methylamino)propan-2-yl]carbamate

Standard CAS: 873221-70-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
873221-70-6
Multi CAS
Yes
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
InChI
InChI=1S/C9H20N2O2/c1-7(6-10-5)11-8(12)13-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)/t7-/m0/s1
InChIKey
LKEWKAVKGVXBTD-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.76
TPSA
50.36

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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