![CAS 1639116-75-8 TERT-BUTYL (6-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-YL)CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1639116-75-8.gif)
CAS RN: 1639116-75-8
TERT-BUTYL (6-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-YL)CARBAMATE
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.20250224 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1639116-75-8
- Purity/Analytical Methods: >99.0%
1639116-75-8 / tert-butyl N-(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate
Basic Information
CAS
1639116-75-8
Multi CAS
No
Molecular Formula
C11H14ClN5O2
Molecular Weight
283.710000
Exact Mass
283.083602
SMILES
CC1=NN=C2N1N=C(C=C2NC(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C11H14ClN5O2/c1-6-14-15-9-7(5-8(12)16-17(6)9)13-10(18)19-11(2,3)4/h5H,1-4H3,(H,13,18)
InChIKey
QZCQMEXCNUEOFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
70.39
TPSA
81.41
LogP / Solubility
WLOGP
2.43
MLOGP
2.15
XLogP3
1.7
Consensus LogP
2.09
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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