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CAS 22501-77-5 4-(5-METHYL-BENZOOXAZOL-2-YL)-PHENYLAMINE molecular structure lightbox
CAS RN: 22501-77-5

4-(5-METHYL-BENZOOXAZOL-2-YL)-PHENYLAMINE

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 100mg Out of stock Inquiry
Batchno.20251202 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260306 1g Out of stock Inquiry
Batchno.20250111 250mg Out of stock Inquiry
  • Product code: SSC-110030
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22501-77-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 1 In Stock Shenzhen Inquiry
0.25g ＞97% 1 In Stock Shenzhen Inquiry
1g ＞97% 1 In Stock Beijing Inquiry
5g ＞97% 1 In Stock Shanghai Inquiry

22501-77-5 / 4-(5-methyl-1,3-benzoxazol-2-yl)aniline

Standard CAS: 22501-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22501-77-5
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N2O/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3
InChIKey
TZIKYKSWQZSLOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.59
TPSA
52.05

LogP / Solubility

WLOGP
3.39
MLOGP
2.98
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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