CAS RN: 936749-56-3
Cyclo(his-pro) (TFA)
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.20250918 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS936749-56-3
- Purity/Analytical Methods: >99.0%
936749-56-3 / (3S,8aS)-3-(1H-imidazol-5-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;2,2,2-trifluoroacetic acid
Basic Information
CAS
936749-56-3
Multi CAS
No
Molecular Formula
C13F3H15N4O4
Molecular Weight
348.280000
Exact Mass
348.104539
InChI
InChI=1S/C11H14N4O2.C2HF3O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7;3-2(4,5)1(6)7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16);(H,6,7)/t8-,9-;/m0./s1
InChIKey
YOFCDSUBRJNLBB-OZZZDHQUSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
72.65
TPSA
115.39
LogP / Solubility
WLOGP
0.07
MLOGP
0.08
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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