![CAS 847644-86-4 tert-butyl N-[(1R,2R)-rel-2-phenylcyclopropyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847644-86-4.gif)
CAS RN: 847644-86-4
tert-butyl N-[(1R,2R)-rel-2-phenylcyclopropyl]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.20251012 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS847644-86-4
- Purity/Analytical Methods: >99.0%
847644-86-4 / tert-butyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate
Basic Information
CAS
847644-86-4
Multi CAS
Yes
Molecular Formula
C14H19NO2
Molecular Weight
233.310000
Exact Mass
233.141579
InChI
InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
InChIKey
MBZAGPLGLMIZOL-VXGBXAGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.96
TPSA
38.33
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.86
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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