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CAS 1206249-43-5 tert-Butyl (5-chloropyrazin-2-yl)carbamate molecular structure lightbox
CAS RN: 1206249-43-5

tert-Butyl (5-chloropyrazin-2-yl)carbamate

  • Product code: SSC-021665
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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 1206249-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1206249-43-5 / tert-butyl N-(5-chloropyrazin-2-yl)carbamate

tert-Butyl (5-chloropyrazin-2-yl)carbamate | tert-butyl N-(5-chloropyrazin-2-yl)carbamate | tert-Butyl(5-chloropyrazin-2-yl)carbamate

Standard CAS: 1206249-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206249-43-5
Multi CAS
No
Molecular Formula
C9H12ClN3O2
Molecular Weight
229.660000
Exact Mass
229.061804
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=N1)Cl
InChI
InChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)13-7-5-11-6(10)4-12-7/h4-5H,1-3H3,(H,12,13,14)
InChIKey
ISUZQLVFDYHNQZ-UHFFFAOYSA-N
Synonyms
tert-Butyl (5-chloropyrazin-2-yl)carbamate tert-butyl N-(5-chloropyrazin-2-yl)carbamate tert-Butyl(5-chloropyrazin-2-yl)carbamate MFCD14581972 1,1-dimethylethyl (5-chloro-2-pyrazinyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.9
TPSA
64.11

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
1.9
Consensus LogP
2.19
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-2.36

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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