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CAS 253443-56-0 (S)-2-AMINO-3-METHOXY-1-PROPANOL molecular structure lightbox
CAS RN: 253443-56-0

(S)-2-AMINO-3-METHOXY-1-PROPANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS253443-56-0
  • Purity/Analytical Methods: >99.0%
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253443-56-0 / (2R)-2-amino-3-methoxypropan-1-ol

Standard CAS: 253443-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253443-56-0
Multi CAS
No
Molecular Formula
C4H11NO2
Molecular Weight
105.140000
Exact Mass
105.078979
SMILES
COC[C@@H](CO)N
InChI
InChI=1S/C4H11NO2.ClH/c1-7-3-4(5)2-6;/h4,6H,2-3,5H2,1H3;1H/t4-;/m1./s1
InChIKey
NIPVWKZBILGKCT-PGMHMLKASA-N

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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