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CAS 13080-86-9 2,2-Bis[4-(4-aminophenoxy)phenyl]propane molecular structure lightbox
CAS RN: 13080-86-9

2,2-Bis[4-(4-aminophenoxy)phenyl]propane

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251112 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260205 10g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260618 1kg In stock Shanghai Inquiry
Batchno.20250106 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260103 500g In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 100g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20251220 10kg Out of stock 8-10 business days Inquiry
Batchno.20250505 2.5kg In stock Shandong Inquiry
Batchno.20251216 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250827 500g In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-037361
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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: 500g
  • Available purity: ≥97%
  • 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 13080-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

13080-86-9 / 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline

Standard CAS: 13080-86-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13080-86-9
Multi CAS
No
Molecular Formula
C27H26N2O2
Molecular Weight
410.500000
Exact Mass
410.199428
SMILES
CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
InChI
InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3
InChIKey
KMKWGXGSGPYISJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
126.87
TPSA
70.5

LogP / Solubility

WLOGP
6.76
MLOGP
5.98
XLogP3
6.4
Consensus LogP
6.38
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (57.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (16.9%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (57.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (57.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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