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CAS 158020-60-1 tert-Butyl2-(dihydrofuran-3(2H)-ylidene)hydrazinecarboxylate molecular structure lightbox
CAS RN: 158020-60-1

tert-Butyl2-(dihydrofuran-3(2H)-ylidene)hydrazinecarboxylate

  • Product code: SSC-066654
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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 158020-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

158020-60-1 / tert-butyl N-(oxolan-3-ylideneamino)carbamate

Standard CAS: 158020-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158020-60-1
Multi CAS
No
Molecular Formula
C9H16N2O3
Molecular Weight
200.230000
Exact Mass
200.116092
SMILES
CC(C)(C)OC(=O)NN=C1CCOC1
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(12)11-10-7-4-5-13-6-7/h4-6H2,1-3H3,(H,11,12)
InChIKey
ALEJVMJLMPXMQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.24
TPSA
59.92

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
0.8
Consensus LogP
1.07
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.03

Drug-likeness / Medicinal Chemistry

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

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