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CAS 1132709-14-8 ((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxaMido)propanaMido)butyl)boronic acid molecular structure lightbox
CAS RN: 1132709-14-8

((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxaMido)propanaMido)butyl)boronic acid

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250603 5mg / 25mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251123 100mg In stock Shanghai Inquiry
Batchno.20250214 10mg In stock Shanghai Inquiry
Batchno.20251010 250mg In stock Shanghai Inquiry
Batchno.20250429 25mg In stock Shanghai Inquiry
Batchno.20250403 50mg In stock Shanghai Inquiry
Batchno.20260324 5mg In stock Shanghai Inquiry
  • Product code: SSC-013429
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1132709-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1132709-14-8 / [(1S)-3-methyl-1-[[(2S)-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

Standard CAS: 1132709-14-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1132709-14-8
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+/m0/s1
InChIKey
GXJABQQUPOEUTA-DOTOQJQBSA-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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