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CAS 2098500-94-6 8-Azido-3,6-dioxaoctanoic Acid Cyclohexylamine Salt molecular structure lightbox
CAS RN: 2098500-94-6

8-Azido-3,6-dioxaoctanoic Acid Cyclohexylamine Salt

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251019 100mg In stock Inquiry
Batchno.20260424 1g In stock Inquiry
Batchno.20260516 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250909 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-099766
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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: ＞95%
  • 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 2098500-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

2098500-94-6 / 2-[2-(2-azidoethoxy)ethoxy]acetic acid;cyclohexanamine

Standard CAS: 2098500-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2098500-94-6
Multi CAS
No
Molecular Formula
C12H24N4O4
Molecular Weight
288.340000
Exact Mass
288.179755
SMILES
C1CCC(CC1)N.C(COCCOCC(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C6H11N3O4.C6H13N/c7-9-8-1-2-12-3-4-13-5-6(10)11;7-6-4-2-1-3-5-6/h1-5H2,(H,10,11);6H,1-5,7H2
InChIKey
CVGMGYQHORMPPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.35
TPSA
130.54

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.69
Consensus LogP
1.63
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
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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