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CAS 1160790-92-0 6-(4-MorpholinylMethyl)pyridine-3-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1160790-92-0

6-(4-MorpholinylMethyl)pyridine-3-boronic acid pinacol ester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251007 1g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251018 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260421 5g In stock Tianjin Inquiry
  • Product code: SSC-016204
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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: 0.25g, 1g, 5g
  • 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 1160790-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1160790-92-0 / 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]morpholine

4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHYL)MORPHOLINE | 6-(Morpholinomethyl)pyridine-3-boronic Acid Pinacol Ester | MFCD16995640

Standard CAS: 1160790-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160790-92-0
Multi CAS
No
Molecular Formula
C16H25BN2O3
Molecular Weight
304.200000
Exact Mass
304.195823
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CN3CCOCC3
InChI
InChI=1S/C16H25BN2O3/c1-15(2)16(3,4)22-17(21-15)13-5-6-14(18-11-13)12-19-7-9-20-10-8-19/h5-6,11H,7-10,12H2,1-4H3
InChIKey
DDIPWDTXYFXZET-UHFFFAOYSA-N
Synonyms
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHYL)MORPHOLINE 6-(Morpholinomethyl)pyridine-3-boronic Acid Pinacol Ester MFCD16995640 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methyl]morpholine 6-(4-Morpholinylmethyl)pyridine-3-boronic acid pinacol ester

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
86.05
TPSA
43.82

LogP / Solubility

WLOGP
1.21
MLOGP
1.08
XLogP3
1.21
Consensus LogP
1.17
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-3.71

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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