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CAS 129392-85-4 tert-butyl (4-azidobutyl)carbamate molecular structure lightbox
CAS RN: 129392-85-4

tert-butyl (4-azidobutyl)carbamate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 1g In stock Shanghai Inquiry
Batchno.20260701 250mg In stock Shanghai Inquiry
Batchno.20260324 5g In stock Shanghai Inquiry
  • Product code: SSC-036430
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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: 5g
  • 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 129392-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

129392-85-4 / tert-butyl N-(4-azidobutyl)carbamate

Standard CAS: 129392-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129392-85-4
Multi CAS
No
Molecular Formula
C9H18N4O2
Molecular Weight
214.270000
Exact Mass
214.142976
SMILES
CC(C)(C)OC(=O)NCCCCN=[N+]=[N-]
InChI
InChI=1S/C9H18N4O2/c1-9(2,3)15-8(14)11-6-4-5-7-12-13-10/h4-7H2,1-3H3,(H,11,14)
InChIKey
KIYMIEPOGRDHRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.48
TPSA
87.09

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.5
Consensus LogP
2.46
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-2.18

Drug-likeness / Medicinal Chemistry

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

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