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CAS RN: 1370411-43-0
5-(4-fluorophenethylsulfonyl)-1-phenyl-1H-tetrazole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-046548
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1370411-43-0 / 5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole
Basic Information
CAS
1370411-43-0
Multi CAS
No
Molecular Formula
C15H13FN4O2S
Molecular Weight
332.400000
Exact Mass
332.074325
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)S(=O)(=O)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C15H13FN4O2S/c16-13-8-6-12(7-9-13)10-11-23(21,22)15-17-18-19-20(15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKey
IDDVKAPYSSGYSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
81.31
TPSA
77.74
LogP / Solubility
WLOGP
1.82
MLOGP
1.62
XLogP3
2.9
Consensus LogP
2.11
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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