CAS RN: 121786-31-0
3-(2-FURYL)-L-ALANINE
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.20250105 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS121786-31-0
- Purity/Analytical Methods: >99.0%
121786-31-0 / (2S)-2-amino-3-(furan-2-yl)propanoic acid
Basic Information
CAS
121786-31-0
Multi CAS
No
Molecular Formula
C7H9NO3
Molecular Weight
155.150000
Exact Mass
155.058243
SMILES
C1=COC(=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H9NO3/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
InChIKey
RXZQHZDTHUUJQJ-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.02
TPSA
76.46
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
-2.3
Consensus LogP
-0.62
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.5
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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