CAS RN: 886992-99-0
Ac-Gly-BoroPro
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS886992-99-0
- Purity/Analytical Methods: >99.0%
886992-99-0 / [1-(2-acetamidoacetyl)pyrrolidin-2-yl]boronic acid
Basic Information
CAS
886992-99-0
Multi CAS
Yes
Molecular Formula
BC8H15N2O4
Molecular Weight
214.030000
Exact Mass
214.112487
InChI
InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)
InChIKey
UUOZISWTWURDGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
53.61
TPSA
89.87
LogP / Solubility
WLOGP
-1.87
MLOGP
-1.65
XLogP3
-1.87
Consensus LogP
-1.8
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
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)
-5.36
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
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