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CAS 273757-11-2 tert-Butyl Methyl(3-oxopropyl)carbaMate molecular structure lightbox
CAS RN: 273757-11-2

tert-Butyl Methyl(3-oxopropyl)carbaMate

  • Product code: SSC-126554
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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 273757-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

273757-11-2 / tert-butyl N-methyl-N-(3-oxopropyl)carbamate

Standard CAS: 273757-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
273757-11-2
Multi CAS
No
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h7H,5-6H2,1-4H3
InChIKey
JBAKABOTZNERRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.55
TPSA
46.61

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
0.5
Consensus LogP
1.07
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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