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CAS 85508-57-2 5-(4-Heptyl)tetrazole molecular structure lightbox
CAS RN: 85508-57-2

5-(4-Heptyl)tetrazole

  • Product code: SSC-193935
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 85508-57-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

85508-57-2 / 5-heptan-4-yl-2H-tetrazole

Standard CAS: 85508-57-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85508-57-2
Multi CAS
Yes
Molecular Formula
C8H16N4
Molecular Weight
168.240000
Exact Mass
168.137497
InChI
InChI=1S/C8H16N4/c1-3-5-7(6-4-2)8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12)
InChIKey
OYQZMQLGNFRLLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.73
TPSA
54.46

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
2.4
Consensus LogP
1.98
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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