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CAS 10477-94-8 3-Methyl-5-phenylpyridine molecular structure lightbox
CAS RN: 10477-94-8

3-Methyl-5-phenylpyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006513
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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: 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 10477-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

10477-94-8 / 3-methyl-5-phenylpyridine

3-Methyl-5-phenylpyridine | VPFKZMSXKPTQJG-UHFFFAOYSA- | DTXSID70344589

Standard CAS: 10477-94-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10477-94-8
Multi CAS
No
Molecular Formula
C12H11N
Molecular Weight
169.220000
Exact Mass
169.089149
SMILES
CC1=CC(=CN=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H11N/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
VPFKZMSXKPTQJG-UHFFFAOYSA-N
Synonyms
3-Methyl-5-phenylpyridine VPFKZMSXKPTQJG-UHFFFAOYSA- DTXSID70344589 RefChem:94801 DTXCID30295664

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.41
TPSA
12.89

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-1.58

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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