![CAS 1689538-58-6 4-([1,1′-Biphenyl]-4-yl)-6-chloro-2-phenylpyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5802-jpgcontextbwfzdgvyfhjvb3r8mziwmtn8aw1hz2uvanblz3xozdcvadm5lzg5mjkymtgxotk1odivqju4mdiuanbnfgfizdqyywu1yjvjntm3mzm2ymiyodkzzthhyjk0ndmyotu5ywyynmjlmmfmodhmnge3ztm5mdk1zdi1zdawndu.jpeg)
CAS RN: 1689538-58-6
4-([1,1′-Biphenyl]-4-yl)-6-chloro-2-phenylpyrimidine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250804 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260525 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250322 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260327 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250521 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250312 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-073618
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: ＞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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1689538-58-6 / 4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine
Basic Information
CAS
1689538-58-6
Multi CAS
No
Molecular Formula
C22H15ClN2
Molecular Weight
342.800000
Exact Mass
342.092376
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)Cl
InChI
InChI=1S/C22H15ClN2/c23-21-15-20(24-22(25-21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-15H
InChIKey
JWWMUTCXVNBWGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
103.35
TPSA
25.78
LogP / Solubility
WLOGP
6.13
MLOGP
5.41
XLogP3
6.1
Consensus LogP
5.88
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
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
