CAS RN: 1390715-99-7
(1R)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
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.20260430 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1390715-99-7
- Purity/Analytical Methods: >99.0%
1390715-99-7 / (1R)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Basic Information
CAS
1390715-99-7
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
COC1=CC2=C(C=C1)[C@@H](NCC2)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-15-8-2-3-9-7(6-8)4-5-12-10(9)11(13)14/h2-3,6,10,12H,4-5H2,1H3,(H,13,14)/t10-/m1/s1
InChIKey
QIRHLLVXHCWXEL-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.08
TPSA
58.56
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
-1.2
Consensus LogP
0.21
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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