CAS RN: 1309803-01-7
3-Furancarboxylic acid,4-aminotetrahydro-,(3R,4R)-rel-
- Product code: SSC-037540
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1309803-01-7 / 4-aminooxolane-3-carboxylic acid
Basic Information
CAS
1309803-01-7
Multi CAS
No
Molecular Formula
C5H9NO3
Molecular Weight
131.130000
Exact Mass
131.058243
SMILES
C1C(C(CO1)N)C(=O)O
InChI
InChI=1S/C5H9NO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)
InChIKey
ACCUSSMGNVVSBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.92
TPSA
72.55
LogP / Solubility
WLOGP
-0.96
MLOGP
-0.85
XLogP3
-3.2
Consensus LogP
-1.67
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly 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)
-4.2
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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