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CAS 1638760-09-4 (3R,4S)-Tert-Butyl 3,4-dihydroxypiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1638760-09-4

(3R,4S)-Tert-Butyl 3,4-dihydroxypiperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1638760-09-4
  • Purity/Analytical Methods: >99.0%
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1638760-09-4 / tert-butyl (3S,4S)-3,4-dihydroxypiperidine-1-carboxylate

Standard CAS: 1638760-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638760-09-4
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)O)O
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-4-7(12)8(13)6-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKey
RIZGRNBWPJMDKU-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.44
TPSA
70

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
Consensus LogP
0.22
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.8

Drug-likeness / Medicinal Chemistry

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

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