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CAS 1309981-45-0 “3-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine” molecular structure lightbox
CAS RN: 1309981-45-0

“3-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine”

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 50mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-037581
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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: ＞97%
  • 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 1309981-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1309981-45-0 / 3-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Standard CAS: 1309981-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309981-45-0
Multi CAS
No
Molecular Formula
C17H20BNO3
Molecular Weight
297.200000
Exact Mass
297.153624
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OC3=CC=CC=C3
InChI
InChI=1S/C17H20BNO3/c1-16(2)17(3,4)22-18(21-16)13-10-15(12-19-11-13)20-14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKey
ILWVNBOVBBBNEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.47
TPSA
40.58

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.17
Consensus LogP
3.05
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

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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