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CAS 184888-43-5 Carbamic acid, [(1R)-1-phenylethyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 184888-43-5

Carbamic acid, [(1R)-1-phenylethyl]-, 1,1-dimethylethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS184888-43-5
  • Purity/Analytical Methods: >99.0%
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184888-43-5 / tert-butyl N-[(1R)-1-phenylethyl]carbamate

Standard CAS: 184888-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184888-43-5
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H19NO2/c1-10(11-8-6-5-7-9-11)14-12(15)16-13(2,3)4/h5-10H,1-4H3,(H,14,15)/t10-/m1/s1
InChIKey
WOIRCKJMSPMDAM-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.23
TPSA
38.33

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
2.8
Consensus LogP
2.98
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.75

Drug-likeness / Medicinal Chemistry

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

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