CAS RN: 107202-43-7
(3S)-3-(N-Boc-amino)-4-phenyl-1-butene
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.20260613 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS107202-43-7
- Purity/Analytical Methods: >99.0%
107202-43-7 / tert-butyl N-[(2S)-1-phenylbut-3-en-2-yl]carbamate
(S)-3-Boc-amino-4-phenyl-1-butene | (S)-tert-Butyl 1-phenylbut-3-en-2-ylcarbamate | (S)-tert-Butyl (1-phenylbut-3-en-2-yl)carbamate
Basic Information
CAS
107202-43-7
Multi CAS
Yes
Molecular Formula
C15H21NO2
Molecular Weight
247.330000
Exact Mass
247.157229
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C=C
InChI
InChI=1S/C15H21NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h5-10,13H,1,11H2,2-4H3,(H,16,17)/t13-/m1/s1
InChIKey
WNAHEVXTGAEKIY-CYBMUJFWSA-N
Synonyms
(S)-3-Boc-amino-4-phenyl-1-butene
(S)-tert-Butyl 1-phenylbut-3-en-2-ylcarbamate
(S)-tert-Butyl (1-phenylbut-3-en-2-yl)carbamate
Tert-butyl N-[(2S)-1-phenylbut-3-en-2-yl]carbamate
Carbamic acid,N-[(1S)-1-(phenylmethyl)-2-propen-1-yl]-, 1,1-dimethylethyl ester
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.5
TPSA
38.33
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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