CAS RN: 2046-19-7
D-2-AMINO-5-PHENYL-PENTANOIC ACID
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.20260213 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2046-19-7
- Purity/Analytical Methods: >99.0%
2046-19-7 / 2-amino-5-phenylpentanoic acid
Basic Information
CAS
2046-19-7
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
C1=CC=C(C=C1)CCCC(C(=O)O)N
InChI
InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)
InChIKey
XOQZTHUXZWQXOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.99
TPSA
63.32
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
-0.4
Consensus LogP
0.76
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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