CAS RN: 1253690-13-9
Boc-D-Ser-Oipr
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.20250204 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1253690-13-9
- Purity/Analytical Methods: >99.0%
1253690-13-9 / propan-2-yl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Basic Information
CAS
1253690-13-9
Multi CAS
No
Molecular Formula
C11H21NO5
Molecular Weight
247.290000
Exact Mass
247.141973
SMILES
CC(C)OC(=O)[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO5/c1-7(2)16-9(14)8(6-13)12-10(15)17-11(3,4)5/h7-8,13H,6H2,1-5H3,(H,12,15)/t8-/m1/s1
InChIKey
QVURMCPIMAXTNA-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.47
TPSA
84.86
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
1
Consensus LogP
0.85
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.64
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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