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CAS 1008-88-4 3-Phenylpyridine molecular structure lightbox
CAS RN: 1008-88-4

3-Phenylpyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-001528
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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: 10g
  • 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 1008-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

1008-88-4 / 3-phenylpyridine

3-PHENYLPYRIDINE | Pyridine, 3-phenyl- | EDZ6KB7JVC

Standard CAS: 1008-88-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1008-88-4
Multi CAS
Yes
Molecular Formula
C11H9N
Molecular Weight
155.200000
Exact Mass
155.073499
SMILES
C1=CC=C(C=C1)C2=CN=CC=C2
InChI
InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
InChIKey
HJKGBRPNSJADMB-UHFFFAOYSA-N
Synonyms
3-PHENYLPYRIDINE Pyridine, 3-phenyl- EDZ6KB7JVC DTXSID0061404 RefChem:95356

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.67
TPSA
12.89

LogP / Solubility

WLOGP
2.75
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-1.72

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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