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CAS 374538-02-0 5-(3-PHENOXYPHENYL)-1H-TETRAZOLE molecular structure lightbox
CAS RN: 374538-02-0

5-(3-PHENOXYPHENYL)-1H-TETRAZOLE

  • Product code: SSC-144759
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • 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 374538-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Beijing Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g -- 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

374538-02-0 / 5-(3-phenoxyphenyl)-2H-tetrazole

Standard CAS: 374538-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
374538-02-0
Multi CAS
No
Molecular Formula
C13H10N4O
Molecular Weight
238.240000
Exact Mass
238.085461
InChI
InChI=1S/C13H10N4O/c1-2-6-11(7-3-1)18-12-8-4-5-10(9-12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
InChIKey
TYNITQBHBADQAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.13
TPSA
63.69

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

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

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