CAS RN: 81201-86-7
L-PHENYLALANINE (1-13C)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260106 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS81201-86-7
- Purity/Analytical Methods: >99.0%
81201-86-7 / 2-amino-3-phenyl(113C)propanoic acid
Basic Information
CAS
81201-86-7
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
166.180000
Exact Mass
166.082333
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i9+1
InChIKey
COLNVLDHVKWLRT-QBZHADDCSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.76
TPSA
63.32
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
-1.5
Consensus LogP
-0.1
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.27
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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