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CAS 58377-44-9 tert-butyl N-methoxycarbamate molecular structure lightbox
CAS RN: 58377-44-9

tert-butyl N-methoxycarbamate

  • Product code: SSC-166612
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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: ＞97%
  • 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 58377-44-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

58377-44-9 / tert-butyl N-methoxycarbamate

Standard CAS: 58377-44-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58377-44-9
Multi CAS
No
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
InChI
InChI=1S/C6H13NO3/c1-6(2,3)10-5(8)7-9-4/h1-4H3,(H,7,8)
InChIKey
FYTBDYZBNKGJRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.38
TPSA
47.56

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.86

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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