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CAS 1684430-48-5 (2R,6S)-2,6-dimethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine molecular structure lightbox
CAS RN: 1684430-48-5

(2R,6S)-2,6-dimethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

  • Product code: SSC-073408
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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 1684430-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1684430-48-5 / (2R,6S)-2,6-dimethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine

Standard CAS: 1684430-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1684430-48-5
Multi CAS
No
Molecular Formula
C17H27BN2O3
Molecular Weight
318.200000
Exact Mass
318.211473
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3C[C@H](O[C@H](C3)C)C
InChI
InChI=1S/C17H27BN2O3/c1-12-10-20(11-13(2)21-12)15-8-7-14(9-19-15)18-22-16(3,4)17(5,6)23-18/h7-9,12-13H,10-11H2,1-6H3/t12-,13+
InChIKey
NHISTAXFJIXZTM-BETUJISGSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
92.18
TPSA
43.82

LogP / Solubility

WLOGP
1.99
MLOGP
1.77
XLogP3
1.99
Consensus LogP
1.92
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-3.25

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
3.5

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