CAS RN: 220247-71-2
1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID 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.20250411 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105948
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: 0.1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
220247-71-2 / 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;hydrochloride
Basic Information
CAS
220247-71-2
Multi CAS
No
Molecular Formula
C10H12ClNO2
Molecular Weight
213.660000
Exact Mass
213.055656
SMILES
C1CNCC2=C1C=CC(=C2)C(=O)O.Cl
InChI
InChI=1S/C10H11NO2.ClH/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8;/h1-2,5,11H,3-4,6H2,(H,12,13);1H
InChIKey
AAOPPOUJUYGRIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.06
TPSA
49.33
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
7-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
- CAS RN: 220247-73-4
- Product Code: SSC-105949
-
7-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE
- CAS RN: 220247-87-0
- Product Code: SSC-105950
-
-
S-BUTYRYLTHIOCHOLINE CHLORIDE
- CAS RN: 22026-63-7
- Product Code: starshine_CAS22026-63-7
- Purity/Analytical method: >99.0%
-
-
