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CAS 105086-80-4 (S)-2-AMINO-5-METHOXYTETRALIN HYDROCHLORIDE molecular structure lightbox
CAS RN: 105086-80-4

(S)-2-AMINO-5-METHOXYTETRALIN HYDROCHLORIDE

  • Product code: SSC-006841
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 105086-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry

105086-80-4 / (2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

(S)-5-Methoxy-2-aminotetralin | (S)-(-)-5-METHOXY 2-AMINOTETRALIN | (2S)-5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE

Standard CAS: 105086-80-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105086-80-4
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
COC1=CC=CC2=C1CC[C@@H](C2)N
InChI
InChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3/t9-/m0/s1
InChIKey
SIHPGAYIYYGOIP-VIFPVBQESA-N
Synonyms
(S)-5-Methoxy-2-aminotetralin (S)-(-)-5-METHOXY 2-AMINOTETRALIN (2S)-5-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE (S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine MFCD00671648

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.99
TPSA
35.25

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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