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CAS 956018-34-1 tert-butyl 2-(2-aMinothiazol-4-yl)ethylcarbaMate molecular structure lightbox
CAS RN: 956018-34-1

tert-butyl 2-(2-aMinothiazol-4-yl)ethylcarbaMate

  • Product code: SSC-211084
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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 956018-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

956018-34-1 / tert-butyl N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]carbamate

Standard CAS: 956018-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956018-34-1
Multi CAS
No
Molecular Formula
C10H17N3O2S
Molecular Weight
243.330000
Exact Mass
243.104148
InChI
InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)12-5-4-7-6-16-8(11)13-7/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,14)
InChIKey
IIILZIJRVHFCGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.47
TPSA
77.24

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.93

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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