CAS RN: 115006-86-5
Cyclo(L-Leu-trans-4-hydroxy-L-Pro)
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.20250409 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS115006-86-5
- Purity/Analytical Methods: >99.0%
115006-86-5 / (3S,7R,8aS)-7-hydroxy-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Cyclo(Hpro-Leu) | 7-hydroxy-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | 7-Hydroxy-3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Basic Information
CAS
115006-86-5
Multi CAS
Yes
Molecular Formula
C11H18N2O3
Molecular Weight
226.270000
Exact Mass
226.131742
SMILES
CC(C)C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O
InChI
InChI=1S/C11H18N2O3/c1-6(2)3-8-11(16)13-5-7(14)4-9(13)10(15)12-8/h6-9,14H,3-5H2,1-2H3,(H,12,15)/t7-,8+,9+/m1/s1
InChIKey
YEHIUWVXPQQDMC-VGMNWLOBSA-N
Synonyms
Cyclo(Hpro-Leu)
7-hydroxy-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
7-Hydroxy-3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
orb1680080
SCHEMBL27981363
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.51
TPSA
69.64
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.44
XLogP3
0.1
Consensus LogP
-0.28
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
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)
-4.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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