CAS RN: 518335-32-5
tert-butyl (R)-(1-(naphthalen-1-yl)ethyl)carbamate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250918 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS518335-32-5
- Purity/Analytical Methods: >99.0%
518335-32-5 / tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
Basic Information
CAS
518335-32-5
Multi CAS
Yes
Molecular Formula
C17H21NO2
Molecular Weight
271.350000
Exact Mass
271.157229
InChI
InChI=1S/C17H21NO2/c1-12(18-16(19)20-17(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14/h5-12H,1-4H3,(H,18,19)/t12-/m1/s1
InChIKey
BXIZIFGFKQCKCN-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.73
TPSA
38.33
LogP / Solubility
WLOGP
4.43
MLOGP
3.9
XLogP3
4.1
Consensus LogP
4.14
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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