CAS RN: 1194235-41-0
Bortezomib Impurity 9
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.20260315 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1194235-41-0
- Purity/Analytical Methods: >99.0%
1194235-41-0 / [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]propanoyl]amino]butyl]boronic acid
HSK5QC9GD2 | N-(2-Pyrazinylcarbonyl)-L-phenylalanyl-N-[(1R)-1-borono-3-methylbutyl]-L-phenylalaninamide | L-Phenylalaninamide, N-(2-pyrazinylcarbonyl)-L-phenylalanyl-N-((1R)-1-borono-3-methylbutyl)-
Basic Information
CAS
1194235-41-0
Multi CAS
Yes
Molecular Formula
C28H34BN5O5
Molecular Weight
531.400000
Exact Mass
531.265299
SMILES
B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=NC=CN=C3)(O)O
InChI
InChI=1S/C28H34BN5O5/c1-19(2)15-25(29(38)39)34-27(36)23(17-21-11-7-4-8-12-21)32-26(35)22(16-20-9-5-3-6-10-20)33-28(37)24-18-30-13-14-31-24/h3-14,18-19,22-23,25,38-39H,15-17H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t22-,23-,25-/m0/s1
InChIKey
WXSBJLWLFBBGKF-LSQMVHIFSA-N
Synonyms
HSK5QC9GD2
N-(2-Pyrazinylcarbonyl)-L-phenylalanyl-N-[(1R)-1-borono-3-methylbutyl]-L-phenylalaninamide
L-Phenylalaninamide, N-(2-pyrazinylcarbonyl)-L-phenylalanyl-N-((1R)-1-borono-3-methylbutyl)-
N-(2-Pyrazinylcarbonyl)-L-phenylalanyl-N-((1R)-1-borono-3-methylbutyl)-L-phenylalaninamide
RefChem:201986
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
5
Molar refractivity
147.09
TPSA
153.54
LogP / Solubility
WLOGP
1.09
MLOGP
1
XLogP3
1.09
Consensus LogP
1.06
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
Pictogram(s)
Acute Toxic
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501
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