CAS RN: 1242156-59-7
6-(tert-Butyl)-8-fluorophthalazin-1(2H)-one
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.20251020 | 25mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-028064
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
1242156-59-7 / 6-tert-butyl-8-fluoro-2H-phthalazin-1-one
Basic Information
CAS
1242156-59-7
Multi CAS
No
Molecular Formula
C12H13FN2O
Molecular Weight
220.240000
Exact Mass
220.101191
SMILES
CC(C)(C)C1=CC2=C(C(=C1)F)C(=O)NN=C2
InChI
InChI=1S/C12H13FN2O/c1-12(2,3)8-4-7-6-14-15-11(16)10(7)9(13)5-8/h4-6H,1-3H3,(H,15,16)
InChIKey
UQLKXNSVRRFDGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.02
TPSA
45.75
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-(6-(tert-butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate
- CAS RN: 1242156-76-8
- Product Code: starshine_CAS1242156-76-8
- Purity/Analytical method: >99.0%
-
-
6-Bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one
- CAS RN: 1242157-15-8
- Product Code: SSC-028068
-
-
-
3,4-a’]dinaphthalen-4-yl]-1,2-dihydroquinoline toluene adduct
- CAS RN: 1242168-77-9
- Product Code: starshine_CAS1242168-77-9
- Purity/Analytical method: >99.0%
![CAS 1242168-77-9 3,4-a’]dinaphthalen-4-yl]-1,2-dihydroquinoline toluene adduct molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1242168-77-9.gif)