![CAS 150331-99-0 3-Furanacetic acid, .alpha.-aminotetrahydro-, [S-(R*,R*)]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150331-99-0.gif)
CAS RN: 150331-99-0
3-Furanacetic acid, .alpha.-aminotetrahydro-, [S-(R*,R*)]- (9CI)
- Product code: SSC-060292
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
150331-99-0 / (2S)-2-amino-2-[(3S)-oxolan-3-yl]acetic acid
Basic Information
CAS
150331-99-0
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
C1COC[C@@H]1[C@@H](C(=O)O)N
InChI
InChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1
InChIKey
HAKFKLNJIKJGET-UHNVWZDZSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.54
TPSA
72.55
LogP / Solubility
WLOGP
-0.57
MLOGP
-0.5
XLogP3
-3.1
Consensus LogP
-1.39
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 150347-56-1 3′,6′-(Dimethylamino)-3-oxo-spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-ar-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150347-56-1.gif)
