CAS RN: 439133-67-2
(S)-2-Amino-5-methoxytetralin (S)-mandelate
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.20250616 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS439133-67-2
- Purity/Analytical Methods: >99.0%
439133-67-2 / (2S)-2-hydroxy-2-phenylacetic acid;(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
Basic Information
CAS
439133-67-2
Multi CAS
Yes
Molecular Formula
C19H23NO4
Molecular Weight
329.400000
Exact Mass
329.162708
InChI
InChI=1S/C11H15NO.C8H8O3/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;9-7(8(10)11)6-4-2-1-3-5-6/h2-4,9H,5-7,12H2,1H3;1-5,7,9H,(H,10,11)/t9-;7-/m00/s1
InChIKey
GTWGCLZVABLEAP-ANNIYNITSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
92.03
TPSA
92.78
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.32
Consensus LogP
2.23
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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