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CAS 76509-17-6 3-benzyloxypyridine molecular structure lightbox
CAS RN: 76509-17-6

3-benzyloxypyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100mg / 250mg / 1g Confirm by inquiry Chongqing, Shanghai Inquiry
  • Product code: SSC-185923
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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 76509-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

76509-17-6 / 3-phenylmethoxypyridine

Standard CAS: 76509-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76509-17-6
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
InChI
InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
InChIKey
LLWFWIZOFFLRKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
55.01
TPSA
22.12

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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