CAS RN: 28101-74-8
3-Amino-DL-Phenylalanine
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.20260129 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28101-74-8
- Purity/Analytical Methods: >99.0%
28101-74-8 / 2-amino-3-(3-aminophenyl)propanoic acid
Basic Information
CAS
28101-74-8
Multi CAS
Yes
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
InChI
InChI=1S/C9H12N2O2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
InChIKey
DDLYNVBJVVOUGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.17
TPSA
89.34
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
-2.2
Consensus LogP
-0.6
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
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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