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CAS 129392-87-6 6-AZIDO-N-BOC-HEXYLAMINE molecular structure lightbox
CAS RN: 129392-87-6

6-AZIDO-N-BOC-HEXYLAMINE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251102 100mg Out of stock 8-10 business days Inquiry
Batchno.20250828 1g In stock Shanghai Inquiry
Batchno.20260325 250mg In stock Shanghai Inquiry
Batchno.20250427 5g In stock Shanghai Inquiry
  • Product code: SSC-036432
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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 129392-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

129392-87-6 / tert-butyl N-(6-azidohexyl)carbamate

Standard CAS: 129392-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129392-87-6
Multi CAS
No
Molecular Formula
C11H22N4O2
Molecular Weight
242.320000
Exact Mass
242.174276
SMILES
CC(C)(C)OC(=O)NCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C11H22N4O2/c1-11(2,3)17-10(16)13-8-6-4-5-7-9-14-15-12/h4-9H2,1-3H3,(H,13,16)
InChIKey
KOVHBVRTWMFCGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.72
TPSA
87.09

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.3
Consensus LogP
3.22
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly 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)
-1.8

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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