CAS RN: 2102409-52-7
oxalic 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.20251123 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2102409-52-7
- Purity/Analytical Methods: >99.0%
2102409-52-7 / (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol;oxalic acid
Basic Information
CAS
2102409-52-7
Multi CAS
No
Molecular Formula
C9H16N2O5
Molecular Weight
232.230000
Exact Mass
232.105922
SMILES
C1CN2C[C@@H](C[C@H]2CN1)O.C(=O)(C(=O)O)O
InChI
InChI=1S/C7H14N2O.C2H2O4/c10-7-3-6-4-8-1-2-9(6)5-7;3-1(4)2(5)6/h6-8,10H,1-5H2;(H,3,4)(H,5,6)/t6-,7+;/m0./s1
InChIKey
JVTWONPGZQKRTM-UOERWJHTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
54.13
TPSA
110.1
LogP / Solubility
WLOGP
-1.82
MLOGP
-1.6
XLogP3
-1.82
Consensus LogP
-1.75
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.15
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.34
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)
-5.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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