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CAS 185384-16-1 1,1-DIMETHYLETHYL [(1R)-2-AMINO-1-(PHENYLMETHYL)ETHYL]CARBAMATE molecular structure lightbox
CAS RN: 185384-16-1

1,1-DIMETHYLETHYL [(1R)-2-AMINO-1-(PHENYLMETHYL)ETHYL]CARBAMATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS185384-16-1
  • Purity/Analytical Methods: >99.0%
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185384-16-1 / tert-butyl N-[(2R)-1-amino-3-phenylpropan-2-yl]carbamate

Standard CAS: 185384-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185384-16-1
Multi CAS
No
Molecular Formula
C14H22N2O2
Molecular Weight
250.340000
Exact Mass
250.168128
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CN
InChI
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKey
LHZRJEOMDFKIJM-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.36
TPSA
64.35

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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