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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1092657-05-0 / 5-(4-fluoro-3-methoxyphenyl)-2H-tetrazole
5-(4-fluoro-3-methoxyphenyl)-2H-Tetrazole | MFCD18375296 | AC2886
Basic Information
CAS
1092657-05-0
Multi CAS
Yes
Molecular Formula
C8H7FN4O
Molecular Weight
194.170000
Exact Mass
194.060389
SMILES
COC1=C(C=CC(=C1)C2=NNN=N2)F
InChI
InChI=1S/C8H7FN4O/c1-14-7-4-5(2-3-6(7)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
InChIKey
DJPGZKBHWLPRKQ-UHFFFAOYSA-N
Synonyms
5-(4-fluoro-3-methoxyphenyl)-2H-Tetrazole
MFCD18375296
AC2886
AKOS027256687
SY012456
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.12
TPSA
63.69
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1.2
Consensus LogP
1.03
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.18
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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