![CAS 1273565-10-8 3-Bromo-4,5,6,7-Tetrahydro-[1,2,3]Triazolo[1,5-A]Pyridine-6-Carboxylic Acid Ethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1273565-10-8.gif)
CAS RN: 1273565-10-8
3-Bromo-4,5,6,7-Tetrahydro-[1,2,3]Triazolo[1,5-A]Pyridine-6-Carboxylic Acid Ethyl Ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1273565-10-8
- Purity/Analytical Methods: >99.0%
1273565-10-8 / ethyl 3-bromo-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-6-carboxylate
Basic Information
CAS
1273565-10-8
Multi CAS
No
Molecular Formula
C9H12BrN3O2
Molecular Weight
274.110000
Exact Mass
273.011290
SMILES
CCOC(=O)C1CCC2=C(N=NN2C1)Br
InChI
InChI=1S/C9H12BrN3O2/c1-2-15-9(14)6-3-4-7-8(10)11-12-13(7)5-6/h6H,2-5H2,1H3
InChIKey
HNKFXHDEDOZDHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
56.17
TPSA
57.01
LogP / Solubility
WLOGP
1.17
MLOGP
1.04
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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