CAS RN: 1132709-15-9
((R)-3-Methyl-1-((R)-3-phenyl-2-(pyrazine-2-carboxaMido)propanaMido)butyl)boronic acid
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.20250311 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1132709-15-9
- Purity/Analytical Methods: >99.0%
1132709-15-9 / [(1R)-3-methyl-1-[[(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
[3-methyl-1-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid | [3-methyl-1-[[1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-3-phenylpropyl]amino]butyl]boronic acid | (3-Methyl-1-(3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
Basic Information
CAS
1132709-15-9
Multi CAS
Yes
Molecular Formula
C19H25BN4O4
Molecular Weight
384.200000
Exact Mass
384.196886
SMILES
B([C@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
InChI
InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1
InChIKey
GXJABQQUPOEUTA-WBVHZDCISA-N
Synonyms
[3-methyl-1-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
[3-methyl-1-[[1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-3-phenylpropyl]amino]butyl]boronic acid
(3-Methyl-1-(3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
Bortezomib Impurity Ps619
SCHEMBL466239
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
105.01
TPSA
124.44
LogP / Solubility
WLOGP
0.36
MLOGP
0.34
XLogP3
0.36
Consensus LogP
0.35
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.54
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)
-4.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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