CAS RN: 1224464-93-0
2-CHLORO-5-(2H-TETRAZOL-5-YL)PYRIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250927 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1224464-93-0
- Purity/Analytical Methods: >99.0%
1224464-93-0 / 2-chloro-5-(2H-tetrazol-5-yl)pyridine
Basic Information
CAS
1224464-93-0
Multi CAS
No
Molecular Formula
C6H4ClN5
Molecular Weight
181.580000
Exact Mass
181.015523
SMILES
C1=CC(=NC=C1C2=NNN=N2)Cl
InChI
InChI=1S/C6H4ClN5/c7-5-2-1-4(3-8-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
InChIKey
AEOSVFIAJYOGHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.42
TPSA
67.35
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
4-Methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid methyl ester
- CAS RN: 1224465-02-4
- Product Code: SSC-025362
-
methyl 2-bromobenzo[d]thiazole-7-carboxylate
- CAS RN: 1224465-03-5
- Product Code: starshine_CAS1224465-03-5
- Purity/Analytical method: >99.0%
-
3-(Pyridin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1224514-70-8
- Product Code: starshine_CAS1224514-70-8
- Purity/Analytical method: >99.0%
-
Methyl 4-(Propan-2-yloxy)cyclohexane-1-carboxylate
- CAS RN: 1224582-23-3
- Product Code: SSC-025384
-
1-Thia-6-azaspiro[3.3]heptane hydrochloride
- CAS RN: 1224582-79-9
- Product Code: starshine_CAS1224582-79-9
- Purity/Analytical method: >99.0%
![CAS 1224465-03-5 methyl 2-bromobenzo[d]thiazole-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1224465-03-5.gif)
![CAS 1224582-79-9 1-Thia-6-azaspiro[3.3]heptane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1224582-79-9.gif)