CAS RN: 270596-33-3
BOC-(R)-3-AMINO-4-(2-FURYL)-BUTYRIC 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.20250516 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS270596-33-3
- Purity/Analytical Methods: >99.0%
270596-33-3 / (3S)-4-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
270596-33-3
Multi CAS
No
Molecular Formula
C13H19NO5
Molecular Weight
269.290000
Exact Mass
269.126323
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CO1)CC(=O)O
InChI
InChI=1S/C13H19NO5/c1-13(2,3)19-12(17)14-9(8-11(15)16)7-10-5-4-6-18-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKey
WFTLLVUGUYBNDJ-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67.82
TPSA
88.77
LogP / Solubility
WLOGP
2.19
MLOGP
1.94
XLogP3
1.5
Consensus LogP
1.88
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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