CAS RN: 115224-13-0
(R)-A-PHENYL-3-BUTENAMINE
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.20250126 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS115224-13-0
- Purity/Analytical Methods: >99.0%
115224-13-0 / (1R)-1-phenylbut-3-en-1-amine
1-phenylbut-3-en-1-amine | DTXSID501300761 | RefChem:555347
Basic Information
CAS
115224-13-0
Multi CAS
Yes
Molecular Formula
C10H13N
Molecular Weight
147.220000
Exact Mass
147.104799
SMILES
C=CC[C@H](C1=CC=CC=C1)N
InChI
InChI=1S/C10H13N/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6,11H2/t10-/m1/s1
InChIKey
FAOYSBDLLGZOKF-SNVBAGLBSA-N
Synonyms
1-phenylbut-3-en-1-amine
DTXSID501300761
RefChem:555347
DTXCID50839221
alpha-2-Propen-1-ylbenzenemethanamine
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.18
TPSA
26.02
LogP / Solubility
WLOGP
2.26
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.05
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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