CAS RN: 2703746-36-3
(S)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-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.20260621 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2703746-36-3
- Purity/Analytical Methods: >99.0%
2703746-36-3 / (1S)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
Basic Information
CAS
2703746-36-3
Multi CAS
No
Molecular Formula
C11H14ClNO3
Molecular Weight
243.680000
Exact Mass
243.066221
SMILES
COC1=CC2=C(C=C1)[C@H](NCC2)C(=O)O.Cl
InChI
InChI=1S/C11H13NO3.ClH/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);1H/t10-;/m0./s1
InChIKey
UUWFHMARMBMUOJ-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.33
TPSA
58.56
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.22
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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