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CAS 1085543-96-9 (S)-1-Amino-3-methoxy-propan-2-ol molecular structure lightbox
CAS RN: 1085543-96-9

(S)-1-Amino-3-methoxy-propan-2-ol

  • Product code: SSC-009831
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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, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1085543-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
1g >95% 4 In Stock Shanghai Inquiry

1085543-96-9 / (2S)-1-amino-3-methoxypropan-2-ol

1-Amino-3-methoxypropan-2-ol | 1-Ampo | DTXSID00918479

Standard CAS: 1085543-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1085543-96-9
Multi CAS
Yes
Molecular Formula
C4H11NO2
Molecular Weight
105.140000
Exact Mass
105.078979
SMILES
COC[C@H](CN)O
InChI
InChI=1S/C4H11NO2/c1-7-3-4(6)2-5/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKey
IDSWHVZEQHESIJ-BYPYZUCNSA-N
Synonyms
1-Amino-3-methoxypropan-2-ol 1-Ampo DTXSID00918479 2-Propanol, 1-amino-3-methoxy-, (3aS-(3aalpha,4beta,6aalpha))- RefChem:74870

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
26.94
TPSA
55.48

LogP / Solubility

WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.5
Consensus LogP
-1.16
Log S (ESOL)
0.37
Class (ESOL)
Highly soluble
Log S (Ali)
0.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.17
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.11

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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