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CAS 1630907-19-5 (3R,4R)-rel-tert-Butyl 3-amino-4-hydroxypiperidine-1-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1630907-19-5

(3R,4R)-rel-tert-Butyl 3-amino-4-hydroxypiperidine-1-carboxylate hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1630907-19-5
  • Purity/Analytical Methods: >99.0%
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1630907-19-5 / tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate;hydrochloride

Standard CAS: 1630907-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630907-19-5
Multi CAS
No
Molecular Formula
C10H21ClN2O3
Molecular Weight
252.740000
Exact Mass
252.124070
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)N)O.Cl
InChI
InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;/h7-8,13H,4-6,11H2,1-3H3;1H/t7-,8-;/m1./s1
InChIKey
LBNDPMQUQHWZIB-SCLLHFNJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.65
TPSA
75.79

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.91
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)
-3.74

Drug-likeness / Medicinal Chemistry

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

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