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CAS 874476-55-8 tert-Butyl [5-(hydroxymethyl)pyrazin-2-yl]carbamate molecular structure lightbox
CAS RN: 874476-55-8

tert-Butyl [5-(hydroxymethyl)pyrazin-2-yl]carbamate

  • Product code: SSC-197426
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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: 0.25g
  • 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 874476-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

874476-55-8 / tert-butyl N-[5-(hydroxymethyl)pyrazin-2-yl]carbamate

Standard CAS: 874476-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874476-55-8
Multi CAS
No
Molecular Formula
C10H15N3O3
Molecular Weight
225.240000
Exact Mass
225.111341
InChI
InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)13-8-5-11-7(6-14)4-12-8/h4-5,14H,6H2,1-3H3,(H,12,13,15)
InChIKey
VLZKMTFRXYTMGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.81
TPSA
84.34

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
-0.2
Consensus LogP
0.76
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

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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