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 | Shenzhen | Inquiry |
220812-09-9 / (3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
Basic Information
CAS
220812-09-9
Multi CAS
No
Molecular Formula
C4H8N2O2
Molecular Weight
116.120000
Exact Mass
116.058578
SMILES
C1[C@H]([C@@H](C(=O)N1)N)O
InChI
InChI=1S/C4H8N2O2/c5-3-2(7)1-6-4(3)8/h2-3,7H,1,5H2,(H,6,8)/t2-,3+/m1/s1
InChIKey
UJKOPPMEGDPMLI-GBXIJSLDSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
3
Molar refractivity
26.99
TPSA
75.35
LogP / Solubility
WLOGP
-2.2
MLOGP
-1.94
XLogP3
-2.2
Consensus LogP
-2.11
Log S (ESOL)
0.82
Class (ESOL)
Highly soluble
Log S (Ali)
1.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.41
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
2,5-Pyrrolidinedione,3-amino-1-methyl-,(3S)-(9CI)
- CAS RN: 220835-68-7
- Product Code: SSC-106242
-
-
6-(SULFONYLOXY)MELATONIN
- CAS RN: 2208-40-4
- Product Code: starshine_CAS2208-40-4
- Purity/Analytical method: >99.0%
