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CAS 17823-94-8 3-P-TOLYLOXY-PHENYLAMINE molecular structure lightbox
CAS RN: 17823-94-8

3-P-TOLYLOXY-PHENYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-078604
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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: 5g
  • 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 17823-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

17823-94-8 / 3-(4-methylphenoxy)aniline

Standard CAS: 17823-94-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17823-94-8
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
SMILES
CC1=CC=C(C=C1)OC2=CC=CC(=C2)N
InChI
InChI=1S/C13H13NO/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-9H,14H2,1H3
InChIKey
HLQWPXCRYYEKRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.11
TPSA
35.25

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
2.9
Consensus LogP
3.08
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

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

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