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CAS 1598437-05-8 (2-(2-hydroxypropan-2-yl)pyrimidin-5-yl)boronic acid molecular structure lightbox
CAS RN: 1598437-05-8

(2-(2-hydroxypropan-2-yl)pyrimidin-5-yl)boronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-067825
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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: 0.1g
  • 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 1598437-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1598437-05-8 / [2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]boronic acid

Standard CAS: 1598437-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1598437-05-8
Multi CAS
No
Molecular Formula
C7H11BN2O3
Molecular Weight
181.990000
Exact Mass
182.086272
SMILES
B(C1=CN=C(N=C1)C(C)(C)O)(O)O
InChI
InChI=1S/C7H11BN2O3/c1-7(2,11)6-9-3-5(4-10-6)8(12)13/h3-4,11-13H,1-2H3
InChIKey
PZRBDMOYZYHVGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
47.1
TPSA
86.47

LogP / Solubility

WLOGP
-1.62
MLOGP
-1.42
XLogP3
-1.62
Consensus LogP
-1.55
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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