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CAS 1644529-01-0 Di-tert-butyl 1-(trifluoromethyl)hydrazine-1,2-dicarboxylate molecular structure lightbox
CAS RN: 1644529-01-0

Di-tert-butyl 1-(trifluoromethyl)hydrazine-1,2-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250105 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-071894
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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: 0.1g, 0.25g, 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 1644529-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1644529-01-0 / tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(trifluoromethyl)carbamate

Standard CAS: 1644529-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1644529-01-0
Multi CAS
No
Molecular Formula
C11H19F3N2O4
Molecular Weight
300.270000
Exact Mass
300.129692
SMILES
CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O4/c1-9(2,3)19-7(17)15-16(11(12,13)14)8(18)20-10(4,5)6/h1-6H3,(H,15,17)
InChIKey
WCGXDMBPSBDJBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.5
TPSA
67.87

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.2
Consensus LogP
3.06
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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