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CAS 1638744-59-8 (S)-1-BOC-2-(AMINOMETHYL)-2-METHYLAZETIDINE molecular structure lightbox
CAS RN: 1638744-59-8

(S)-1-BOC-2-(AMINOMETHYL)-2-METHYLAZETIDINE

  • Product code: SSC-071280
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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: ≥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 1638744-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1638744-59-8 / tert-butyl (2S)-2-(aminomethyl)-2-methylazetidine-1-carboxylate

Standard CAS: 1638744-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638744-59-8
Multi CAS
No
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
C[C@]1(CCN1C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-5-10(12,4)7-11/h5-7,11H2,1-4H3/t10-/m0/s1
InChIKey
UKKWLYCFJANZTK-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.02
TPSA
55.56

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.6
Consensus LogP
1.04
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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