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CAS 101187-39-7 1,11-DIAZIDO-3,6,9-TRIOXAUNDECANE molecular structure lightbox
CAS RN: 101187-39-7

1,11-DIAZIDO-3,6,9-TRIOXAUNDECANE

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250812 100mg In stock Inquiry
Batchno.20251013 1g In stock Inquiry
Batchno.20251213 250mg In stock Inquiry
Batchno.20250829 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002038
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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 101187-39-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

101187-39-7 / 1-azido-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethane

1,11-DIAZIDO-3,6,9-TRIOXAUNDECANE | DTXSID10400052 | RefChem:214128

Standard CAS: 101187-39-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101187-39-7
Multi CAS
Yes
Molecular Formula
C8H16N6O3
Molecular Weight
244.250000
Exact Mass
244.128388
SMILES
C(COCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C8H16N6O3/c9-13-11-1-3-15-5-7-17-8-6-16-4-2-12-14-10/h1-8H2
InChIKey
SFMMXKLNFMIUCH-UHFFFAOYSA-N
Synonyms
1,11-DIAZIDO-3,6,9-TRIOXAUNDECANE DTXSID10400052 RefChem:214128 DTXCID70350908 802-438-5

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
60.48
TPSA
125.21

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.6
Consensus LogP
1.57
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.06
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)
-3.03

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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