![CAS 158014-74-5 4-([2,2′:6′,2”-Terpyridin]-4′-yl)benzoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3405-jpgcontextbwfzdgvyfhjvb3r8mzkzodb8aw1hz2uvanblz3xonjavage2lzg5mzi3mdc1otgznjyvvdm0mduuanbnfdlkowi3odnlndc2ogqymzu1owewnjbjnwy3zdvloda4mwy2mtrmyme4ymfizjvlmwy2mje1yzliy2m2zty4nwe.jpeg)
CAS RN: 158014-74-5
4-([2,2′:6′,2”-Terpyridin]-4′-yl)benzoic Acid
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260312 | 1g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20251211 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260109 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250727 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-066651
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
158014-74-5 / 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoic acid
Basic Information
CAS
158014-74-5
Multi CAS
No
Molecular Formula
C22H15N3O2
Molecular Weight
353.400000
Exact Mass
353.116427
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H15N3O2/c26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19/h1-14H,(H,26,27)
InChIKey
RPRRPKJKACRJDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.09
TPSA
75.97
LogP / Solubility
WLOGP
4.57
MLOGP
4.04
XLogP3
3.3
Consensus LogP
3.97
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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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- Purity/Analytical method: >98.0%(GC)(T)
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1,4-Di[[2,2′:6′,2”-terpyridin]-4′-yl]benzene
- CAS RN: 146406-75-9
- Product Code: SSC-057455
![CAS 146406-75-9 1,4-Di[[2,2′:6′,2”-terpyridin]-4′-yl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4194-jpgcontextbwfzdgvyfhjvb3r8mzg4ntl8aw1hz2uvanblz3xootgvadywlzg5mjkwmzg4mjc1ntavqjqxotquanbnfdnjnjdmndbkn2y4yjg1mwiwzmq3otc0zmexnza0ymjmnwq0njljzjc2y2m0ztrhzwy2ntk3mjyzogixnjzlogi.jpeg)