CAS RN: 1175272-80-6
7-Chloroisoquinolin-3(2H)-one
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-017380
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1175272-80-6 / 7-chloro-2H-isoquinolin-3-one
7-Chloroisoquinolin-3(2H)-one | 7-chloro-2H-isoquinolin-3-one | MFCD19704528
Basic Information
CAS
1175272-80-6
Multi CAS
Yes
Molecular Formula
C9H6ClNO
Molecular Weight
179.600000
Exact Mass
179.013792
SMILES
C1=CC(=CC2=CNC(=O)C=C21)Cl
InChI
InChI=1S/C9H6ClNO/c10-8-2-1-6-4-9(12)11-5-7(6)3-8/h1-5H,(H,11,12)
InChIKey
UIIZBWHWNUSKTA-UHFFFAOYSA-N
Synonyms
7-Chloroisoquinolin-3(2H)-one
7-chloro-2H-isoquinolin-3-one
MFCD19704528
7-chloroisoquinolin-3-ol
SCHEMBL2749728
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.58
TPSA
32.86
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
0.9
Consensus LogP
1.67
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
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 1175273-52-5 tert-butyl (3R)-3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl (3R)-3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate
- CAS RN: 1175273-52-5
- Product Code: SSC-017381
-
tert-butyl (3S)-3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate
- CAS RN: 1175273-55-8
- Product Code: SSC-017382
-
4-iodo-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
- CAS RN: 1175274-93-7
- Product Code: SSC-017385
-
1-Cyclohexyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1175275-00-9
- Product Code: SSC-017386
-
2-chloro-7-(trifluoromethyl)-1,3-benzothiazole
- CAS RN: 1175277-66-3
- Product Code: starshine_CAS1175277-66-3
- Purity/Analytical method: >99.0%
-
![CAS 1175273-52-5 tert-butyl (3R)-3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1175273-52-5.gif)
![CAS 1175273-55-8 tert-butyl (3S)-3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]pyrrolidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1175273-55-8.gif)
