CAS RN: 1259326-51-6
7-Chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251115 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20251203 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251028 | 1g | Out of stock | Inquiry | ||
| Batchno.20250430 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS1259326-51-6
- Purity/Analytical Methods: >99.0%
1259326-51-6 / 7-chloro-6-nitro-1,2,3,4-tetrahydroisoquinoline
Basic Information
CAS
1259326-51-6
Multi CAS
No
Molecular Formula
C9H9ClN2O2
Molecular Weight
212.630000
Exact Mass
212.035255
SMILES
C1CNCC2=CC(=C(C=C21)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H9ClN2O2/c10-8-3-7-5-11-2-1-6(7)4-9(8)12(13)14/h3-4,11H,1-2,5H2
InChIKey
KFCNHVMLOCIZKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.52
TPSA
55.17
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.79
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Sparstolonin B
- CAS RN: 1259330-61-4
- Product Code: starshine_CAS1259330-61-4
- Purity/Analytical method: >99.0%
-
Tert-Butyl 4-Iodo-1-Methyl-7-Oxo-6-Azabicyclo[3.2.1]Octane-6-Carboxylate
- CAS RN: 1259366-15-8
- Product Code: starshine_CAS1259366-15-8
- Purity/Analytical method: >99.0%
-
(2-ETHOXY-5-FLUOROPYRIDIN-4-YL)BORONIC ACID
- CAS RN: 1259370-15-4
- Product Code: SSC-031316
-
AMG 837 (calciuM hydrate)
- CAS RN: 1259389-38-2
- Product Code: starshine_CAS1259389-38-2
- Purity/Analytical method: >99.0%
-
5′-(4-Carboxyphenyl)-[1,1′:3′,1”-terphenyl]-3,3”-dicarboxylic acid
- CAS RN: 1259390-34-5
- Product Code: starshine_CAS1259390-34-5
- Purity/Analytical method: >99.0%
-
sodiumhydroxy((1r,4r)-4-(methoxycarbonyl)cyclohexyl)methanesulfonate
- CAS RN: 1259393-34-4
- Product Code: SSC-031317
![CAS 1259366-15-8 Tert-Butyl 4-Iodo-1-Methyl-7-Oxo-6-Azabicyclo[3.2.1]Octane-6-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259366-15-8.gif)
![CAS 1259390-34-5 5′-(4-Carboxyphenyl)-[1,1′:3′,1”-terphenyl]-3,3”-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1259390-34-5.gif)
