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CAS 2120399-28-0 tert-butyl ((1-(hydroxymethyl)cyclopropyl)methyl)(methyl)carbamate molecular structure lightbox
CAS RN: 2120399-28-0

tert-butyl ((1-(hydroxymethyl)cyclopropyl)methyl)(methyl)carbamate

  • Product code: SSC-101268
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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 2120399-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2120399-28-0 / tert-butyl N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylcarbamate

Standard CAS: 2120399-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2120399-28-0
Multi CAS
No
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
CC(C)(C)OC(=O)N(C)CC1(CC1)CO
InChI
InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12(4)7-11(8-13)5-6-11/h13H,5-8H2,1-4H3
InChIKey
IZURJIKPWJAKRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.62
TPSA
49.77

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1
Consensus LogP
1.35
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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