CAS RN: 1033201-77-2
3-Chloro-7-methylisoquinoline
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.20260214 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1033201-77-2
- Purity/Analytical Methods: >99.0%
1033201-77-2 / 3-chloro-7-methylisoquinoline
3-CHLORO-7-METHYLISOQUINOLINE | MFCD10699649 | 3-chloro-7-methyl-isoquinoline
Basic Information
CAS
1033201-77-2
Multi CAS
No
Molecular Formula
C10H8ClN
Molecular Weight
177.630000
Exact Mass
177.034527
SMILES
CC1=CC2=CN=C(C=C2C=C1)Cl
InChI
InChI=1S/C10H8ClN/c1-7-2-3-8-5-10(11)12-6-9(8)4-7/h2-6H,1H3
InChIKey
OZGPSMOHOBPNJI-UHFFFAOYSA-N
Synonyms
3-CHLORO-7-METHYLISOQUINOLINE
MFCD10699649
3-chloro-7-methyl-isoquinoline
SCHEMBL8268451
DTXSID60610407
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
51.49
TPSA
12.89
LogP / Solubility
WLOGP
3.2
MLOGP
2.81
XLogP3
3.4
Consensus LogP
3.14
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1033202-06-0 IMidazo[1,2-a]pyridine-7-carboxylic acid, 3-forMyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
IMidazo[1,2-a]pyridine-7-carboxylic acid, 3-forMyl-
- CAS RN: 1033202-06-0
- Product Code: starshine_CAS1033202-06-0
- Purity/Analytical method: >99.0%
-
8-Bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
- CAS RN: 1033202-08-2
- Product Code: starshine_CAS1033202-08-2
- Purity/Analytical method: >99.0%
-
2-AMINO-7-CHLORO-5-OXO-5H-(1)BENZOPYRANO-(2,3-B)-PYRIDINE-3-CARBONITRILE
- CAS RN: 1033202-10-6
- Product Code: SSC-004777
-
-
-
![CAS 1033202-06-0 IMidazo[1,2-a]pyridine-7-carboxylic acid, 3-forMyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1033202-06-0.gif)
![CAS 1033202-08-2 8-Bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1033202-08-2.gif)
