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CAS 107771-78-8 6-Phenylpyridine-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 107771-78-8

6-Phenylpyridine-2-carboxylic acid ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009172
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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 107771-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

107771-78-8 / ethyl 6-phenylpyridine-2-carboxylate

ethyl 6-phenylpyridine-2-carboxylate | DTXSID50565139 | RefChem:344605

Standard CAS: 107771-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107771-78-8
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
SMILES
CCOC(=O)C1=CC=CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO2/c1-2-17-14(16)13-10-6-9-12(15-13)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKey
CIAWKIXJCRLUFQ-UHFFFAOYSA-N
Synonyms
ethyl 6-phenylpyridine-2-carboxylate DTXSID50565139 RefChem:344605 DTXCID30515915 Ethyl 6-phenylpicolinate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
65.63
TPSA
39.19

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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)
-2.03

Drug-likeness / Medicinal Chemistry

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

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