[email protected]
CAS 1448461-87-7 (2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyriMidin-5-yl)boronic acid molecular structure lightbox
CAS RN: 1448461-87-7

(2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyriMidin-5-yl)boronic acid

  • Product code: SSC-056183
GET A QUOTE
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
Request Bulk Quote

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 1448461-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1448461-87-7 / [2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidin-5-yl]boronic acid

Standard CAS: 1448461-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1448461-87-7
Multi CAS
No
Molecular Formula
C13H21BN4O4
Molecular Weight
308.140000
Exact Mass
308.165585
SMILES
B(C1=CN=C(N=C1)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C13H21BN4O4/c1-13(2,3)22-12(19)18-6-4-17(5-7-18)11-15-8-10(9-16-11)14(20)21/h8-9,20-21H,4-7H2,1-3H3
InChIKey
IDJPIEOJGORRPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
81.88
TPSA
99.02

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.68
XLogP3
-0.79
Consensus LogP
-0.75
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-5.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us