![CAS 1255574-42-5 6-Chloro-8-fluorotetrazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1255574-42-5.gif)
CAS RN: 1255574-42-5
6-Chloro-8-fluorotetrazolo[1,5-a]pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251027 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1255574-42-5
- Purity/Analytical Methods: >99.0%
1255574-42-5 / 6-chloro-8-fluorotetrazolo[1,5-a]pyridine
Basic Information
CAS
1255574-42-5
Multi CAS
No
Molecular Formula
C5H2ClFN4
Molecular Weight
172.550000
Exact Mass
171.995202
SMILES
C1=C(C2=NN=NN2C=C1Cl)F
InChI
InChI=1S/C5H2ClFN4/c6-3-1-4(7)5-8-9-10-11(5)2-3/h1-2H
InChIKey
SIXCVUKMJUBOTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
35.75
TPSA
43.08
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.12
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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