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CAS 1389385-19-6 N-((2R)-2-amino-3-hydroxypropyl)(tert-butoxy)carboxamide molecular structure lightbox
CAS RN: 1389385-19-6

N-((2R)-2-amino-3-hydroxypropyl)(tert-butoxy)carboxamide

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250714 1g In stock Shanghai Inquiry
Batchno.20251205 5g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS1389385-19-6
  • Purity/Analytical Methods: >99.0%
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1389385-19-6 / tert-butyl N-[(2R)-2-amino-3-hydroxypropyl]carbamate

Standard CAS: 1389385-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1389385-19-6
Multi CAS
No
Molecular Formula
C8H18N2O3
Molecular Weight
190.240000
Exact Mass
190.131742
SMILES
CC(C)(C)OC(=O)NC[C@H](CO)N
InChI
InChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-4-6(9)5-11/h6,11H,4-5,9H2,1-3H3,(H,10,12)/t6-/m1/s1
InChIKey
PCTCLLZTTRWASL-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
49.3
TPSA
84.58

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.6
Consensus LogP
-0.31
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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

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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