![CAS 1935429-55-2 METHYL 2-CHLORO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-CARBOXYLATE(WX130456) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1935429-55-2.gif)
CAS RN: 1935429-55-2
METHYL 2-CHLORO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-CARBOXYLATE(WX130456)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1935429-55-2
- Purity/Analytical Methods: >99.0%
1935429-55-2 / methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
Basic Information
CAS
1935429-55-2
Multi CAS
No
Molecular Formula
C8H6ClN3O2
Molecular Weight
211.600000
Exact Mass
211.014854
SMILES
COC(=O)C1=CN2C(=NC(=N2)Cl)C=C1
InChI
InChI=1S/C8H6ClN3O2/c1-14-7(13)5-2-3-6-10-8(9)11-12(6)4-5/h2-4H,1H3
InChIKey
DEKZVCMSESKALO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
49.34
TPSA
56.49
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.6
Consensus LogP
1.27
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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
Yes
Bioavailability score
0.55
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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