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CAS 918643-56-8 Dimethyl-{3-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yloxy]-propyl}-amine molecular structure lightbox
CAS RN: 918643-56-8

Dimethyl-{3-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yloxy]-propyl}-amine

  • Product code: SSC-205339
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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: 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 918643-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

918643-56-8 / N,N-dimethyl-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]propan-1-amine

Standard CAS: 918643-56-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
918643-56-8
Multi CAS
Yes
Molecular Formula
BC16H27N2O3
Molecular Weight
306.200000
Exact Mass
306.211473
InChI
InChI=1S/C16H27BN2O3/c1-15(2)16(3,4)22-17(21-15)13-8-9-14(18-12-13)20-11-7-10-19(5)6/h8-9,12H,7,10-11H2,1-6H3
InChIKey
QWJUJXPYTLOKRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
88.62
TPSA
43.82

LogP / Solubility

WLOGP
1.71
MLOGP
1.52
XLogP3
1.71
Consensus LogP
1.65
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

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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