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CAS 1382137-67-8 1,2,3,6-tetrahydro-1-(methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine molecular structure lightbox
CAS RN: 1382137-67-8

1,2,3,6-tetrahydro-1-(methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

  • Product code: SSC-048165
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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 1382137-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1382137-67-8 / 1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine

Standard CAS: 1382137-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1382137-67-8
Multi CAS
No
Molecular Formula
C12H22BNO4S
Molecular Weight
287.190000
Exact Mass
287.136260
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)S(=O)(=O)C
InChI
InChI=1S/C12H22BNO4S/c1-11(2)12(3,4)18-13(17-11)10-6-8-14(9-7-10)19(5,15)16/h6H,7-9H2,1-5H3
InChIKey
WUYGKJHVVHTRPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
75.2
TPSA
55.84

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.21
Consensus LogP
1.16
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

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
1.5

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