CAS RN: 77450-00-1
(4R)-4-Hydroxy-1-Boc-D-proline ethyl ester
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.20250919 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS77450-00-1
- Purity/Analytical Methods: >99.0%
77450-00-1 / 1-O-tert-butyl 2-O-ethyl 4-hydroxypyrrolidine-1,2-dicarboxylate
Basic Information
CAS
77450-00-1
Multi CAS
Yes
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
InChI
InChI=1S/C12H21NO5/c1-5-17-10(15)9-6-8(14)7-13(9)11(16)18-12(2,3)4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey
MNMDZSAWTQOEHX-RKDXNWHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.98
TPSA
76.07
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.88
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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