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CAS 117861-38-8 N-Boc-2-azidoethylaMine molecular structure lightbox
CAS RN: 117861-38-8

N-Boc-2-azidoethylaMine

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 100mg In stock Shanghai Inquiry
Batchno.20250716 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251221 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-017685
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 10g, 0.1g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117861-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Shenzhen Inquiry

117861-38-8 / tert-butyl N-(2-azidoethyl)carbamate

tert-Butyl (2-azidoethyl)carbamate | DTXSID50624770 | RefChem:382932

Standard CAS: 117861-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117861-38-8
Multi CAS
No
Molecular Formula
C7H14N4O2
Molecular Weight
186.210000
Exact Mass
186.111676
SMILES
CC(C)(C)OC(=O)NCCN=[N+]=[N-]
InChI
InChI=1S/C7H14N4O2/c1-7(2,3)13-6(12)9-4-5-10-11-8/h4-5H2,1-3H3,(H,9,12)
InChIKey
KHZVCESAQNHHKR-UHFFFAOYSA-N
Synonyms
tert-Butyl (2-azidoethyl)carbamate DTXSID50624770 RefChem:382932 DTXCID20575523 N-Boc-2-azidoethylamine

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.25
TPSA
87.09

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.56

Drug-likeness / Medicinal Chemistry

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

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