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CAS 99724-21-7 (AZETIDIN-2-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 99724-21-7

(AZETIDIN-2-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER

  • Product code: SSC-213312
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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, 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 99724-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

99724-21-7 / tert-butyl N-(azetidin-2-ylmethyl)carbamate

Standard CAS: 99724-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99724-21-7
Multi CAS
Yes
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-5-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKey
QMZBFSZZEGSSPH-UHFFFAOYSA-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
50.64
TPSA
50.36

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.24

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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