CAS RN: 1820687-50-0
(3-chloroisoquinolin-7-yl)methanol
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.20251128 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1820687-50-0
- Purity/Analytical Methods: >99.0%
1820687-50-0 / (3-chloroisoquinolin-7-yl)methanol
Basic Information
CAS
1820687-50-0
Multi CAS
No
Molecular Formula
C10H8ClNO
Molecular Weight
193.630000
Exact Mass
193.029442
SMILES
C1=CC2=CC(=NC=C2C=C1CO)Cl
InChI
InChI=1S/C10H8ClNO/c11-10-4-8-2-1-7(6-13)3-9(8)5-12-10/h1-5,13H,6H2
InChIKey
SJOKSEZKMUBNFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.68
TPSA
33.12
LogP / Solubility
WLOGP
2.38
MLOGP
2.09
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.21
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
-
1-(5-(Aminomethyl)-2-methoxyphenyl)-N,N-dimethylmethanamine dihydrochloride
- CAS RN: 1820687-70-4
- Product Code: starshine_CAS1820687-70-4
- Purity/Analytical method: >99.0%
-
-
5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-2-amine dihydrochloride
- CAS RN: 1820703-96-5
- Product Code: SSC-082897
-
3-(1H-Tetrazol-5-yl)morpholine hydrochloride
- CAS RN: 1820705-11-0
- Product Code: SSC-082901
-
2-(Allyloxy)-6-broMo-4-Methoxybenzyl Alcohol
- CAS RN: 1820705-12-1
- Product Code: SSC-082902
-
![CAS 1820703-11-4 2-Aza-spiro[3.3]heptan-6-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820703-11-4.gif)
![CAS 1820703-96-5 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-2-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820703-96-5.gif)
