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CAS 152192-95-5 BOC,ET-N-ET-OH molecular structure lightbox
CAS RN: 152192-95-5

BOC,ET-N-ET-OH

  • Product code: SSC-061963
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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: 5g
  • 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 152192-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

152192-95-5 / tert-butyl N-ethyl-N-(2-hydroxyethyl)carbamate

Standard CAS: 152192-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152192-95-5
Multi CAS
No
Molecular Formula
C9H19NO3
Molecular Weight
189.250000
Exact Mass
189.136493
SMILES
CCN(CCO)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H19NO3/c1-5-10(6-7-11)8(12)13-9(2,3)4/h11H,5-7H2,1-4H3
InChIKey
OPSQZIGTEBZROY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.57
TPSA
49.77

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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

Drug-likeness / Medicinal Chemistry

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

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