CAS RN: 1824065-43-1
7-methoxy-8-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride
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.20251016 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1824065-43-1
- Purity/Analytical Methods: >99.0%
1824065-43-1 / 7-methoxy-8-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Basic Information
CAS
1824065-43-1
Multi CAS
No
Molecular Formula
C10H13ClN2O3
Molecular Weight
244.670000
Exact Mass
244.061470
SMILES
COC1=C(C2=C(CCNC2)C=C1)[N+](=O)[O-].Cl
InChI
InChI=1S/C10H12N2O3.ClH/c1-15-9-3-2-7-4-5-11-6-8(7)10(9)12(13)14;/h2-3,11H,4-6H2,1H3;1H
InChIKey
ACDHPWGAVLQVFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.31
TPSA
64.4
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.67
Consensus LogP
1.61
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-3.03
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
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