CAS RN: 1038549-50-6
Methyl 2-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
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.20260506 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-005479
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1038549-50-6 / methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate
METHYL 2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE | MFCD22104102 | methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate
Basic Information
CAS
1038549-50-6
Multi CAS
No
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
SMILES
CN1CCC2=C(C1)C=C(C=C2)C(=O)OC
InChI
InChI=1S/C12H15NO2/c1-13-6-5-9-3-4-10(12(14)15-2)7-11(9)8-13/h3-4,7H,5-6,8H2,1-2H3
InChIKey
CDNLQQWJIPRYEA-UHFFFAOYSA-N
Synonyms
METHYL 2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLATE
MFCD22104102
methyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate
SCHEMBL309165
PB13991
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.82
TPSA
29.54
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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