CAS RN: 201046-36-8
BOC-ORN(PYRAZINYLCARBONYL)-OH
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.20250731 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS201046-36-8
- Purity/Analytical Methods: >99.0%
201046-36-8 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(pyrazine-2-carbonylamino)pentanoic acid
Basic Information
CAS
201046-36-8
Multi CAS
No
Molecular Formula
C15H22N4O5
Molecular Weight
338.360000
Exact Mass
338.159020
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)C1=NC=CN=C1)C(=O)O
InChI
InChI=1S/C15H22N4O5/c1-15(2,3)24-14(23)19-10(13(21)22)5-4-6-18-12(20)11-9-16-7-8-17-11/h7-10H,4-6H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t10-/m0/s1
InChIKey
JHSPNQNFWYAWFA-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
84.39
TPSA
130.51
LogP / Solubility
WLOGP
0.96
MLOGP
0.87
XLogP3
0.4
Consensus LogP
0.74
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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