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CAS 535936-61-9 3-Furanol,4-aminotetrahydro-,(3R,4R)-rel-(9CI) molecular structure lightbox
CAS RN: 535936-61-9

3-Furanol,4-aminotetrahydro-,(3R,4R)-rel-(9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251009 100mg / 250mg / 500mg Confirm by inquiry Shanghai 1 business days Inquiry
  • Product code: starshine_CAS535936-61-9
  • Purity/Analytical Methods: >99.0%
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535936-61-9 / (3R,4S)-4-aminooxolan-3-ol

Standard CAS: 535936-61-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
535936-61-9
Multi CAS
Yes
Molecular Formula
C4H9NO2
Molecular Weight
103.120000
Exact Mass
103.063329
InChI
InChI=1S/C4H9NO2/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m0/s1
InChIKey
HQVKXDYSIGDGSY-IUYQGCFVSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
24.8
TPSA
55.48

LogP / Solubility

WLOGP
-1.3
MLOGP
-1.15
XLogP3
-1.6
Consensus LogP
-1.35
Log S (ESOL)
0.34
Class (ESOL)
Highly soluble
Log S (Ali)
0.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
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)
-4.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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