CAS RN: 1643848-13-8
4-(2-Benzoxazolyl)-N-phenylbenzenamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251015 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-071808
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
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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1643848-13-8 / 4-(1,3-benzoxazol-2-yl)-N-phenylaniline
Basic Information
CAS
1643848-13-8
Multi CAS
No
Molecular Formula
C19H14N2O
Molecular Weight
286.300000
Exact Mass
286.110613
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C19H14N2O/c1-2-6-15(7-3-1)20-16-12-10-14(11-13-16)19-21-17-8-4-5-9-18(17)22-19/h1-13,20H
InChIKey
PNYBXIYYTZLEDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
21
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.17
TPSA
38.06
LogP / Solubility
WLOGP
5.24
MLOGP
4.62
XLogP3
5
Consensus LogP
4.95
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
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
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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