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CAS 957198-30-0 2-(4-MORPHOLINO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 957198-30-0

2-(4-MORPHOLINO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-211370
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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: 5g
  • Available purity: ≥98%
  • 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 957198-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

957198-30-0 / 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine

Standard CAS: 957198-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
957198-30-0
Multi CAS
Yes
Molecular Formula
BC14H22N3O3
Molecular Weight
291.160000
Exact Mass
291.175422
InChI
InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-9-16-12(17-10-11)18-5-7-19-8-6-18/h9-10H,5-8H2,1-4H3
InChIKey
HNVAYPJNFUXYII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
80.78
TPSA
56.71

LogP / Solubility

WLOGP
0.61
MLOGP
0.55
XLogP3
0.61
Consensus LogP
0.59
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

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
2.5

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