Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1142927-95-4 / 2-pyridazin-4-ylacetonitrile
2-(PYRIDAZIN-4-YL)ACETONITRILE | 4-PYRIDAZINEACETONITRILE | 2-pyridazin-4-ylacetonitrile
Basic Information
CAS
1142927-95-4
Multi CAS
No
Molecular Formula
C6H5N3
Molecular Weight
119.120000
Exact Mass
119.048347
SMILES
C1=CN=NC=C1CC#N
InChI
InChI=1S/C6H5N3/c7-3-1-6-2-4-8-9-5-6/h2,4-5H,1H2
InChIKey
TVQXLINRIUVLHP-UHFFFAOYSA-N
Synonyms
2-(PYRIDAZIN-4-YL)ACETONITRILE
4-PYRIDAZINEACETONITRILE
2-pyridazin-4-ylacetonitrile
MFCD17015867
(Pyridazin-4-yl)acetonitrile
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
31.35
TPSA
49.57
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
-1
Consensus LogP
0.0000
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1142943-96-1 cyclopropanecarboxylic acid (5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-amide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
cyclopropanecarboxylic acid (5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-amide
- CAS RN: 1142943-96-1
- Product Code: SSC-014129
-
-
1-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)guanidine 2,2,2-trifluoroacetate
- CAS RN: 1142945-81-0
- Product Code: starshine_CAS1142945-81-0
- Purity/Analytical method: >99.0%
-
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
- CAS RN: 1142945-83-2
- Product Code: starshine_CAS1142945-83-2
- Purity/Analytical method: >99.0%
-
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-(4-Methyl-1-piperazinyl)phenyl]-
- CAS RN: 1142946-17-5
- Product Code: starshine_CAS1142946-17-5
- Purity/Analytical method: >99.0%
-
![CAS 1142943-96-1 cyclopropanecarboxylic acid (5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-amide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1142943-96-1.gif)
![CAS 1142945-83-2 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1142945-83-2.gif)
![CAS 1142946-17-5 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-(4-Methyl-1-piperazinyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1142946-17-5.gif)
![CAS 1142946-81-3 5-cyanobenzo[b]thiophen-2-ylboronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1142946-81-3.gif)