CAS RN: 75776-67-9
4-keto-L-proline hydrobromide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251219 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS75776-67-9
- Purity/Analytical Methods: >99.0%
75776-67-9 / 4-oxopyrrolidine-2-carboxylic acid;hydrobromide
Basic Information
CAS
75776-67-9
Multi CAS
Yes
Molecular Formula
BC5H8O3Rn
Molecular Weight
210.030000
Exact Mass
208.968760
InChI
InChI=1S/C5H7NO3.BrH/c7-3-1-4(5(8)9)6-2-3;/h4,6H,1-2H2,(H,8,9);1H/t4-;/m0./s1
InChIKey
SFSROLZHCPCODJ-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.37
TPSA
66.4
LogP / Solubility
WLOGP
-0.42
MLOGP
-0.37
XLogP3
-0.42
Consensus LogP
-0.4
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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