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CAS 83558-87-6 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane molecular structure lightbox
CAS RN: 83558-87-6

2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 100g In stock Shanghai, Guangdong Inquiry
Batchno.20251106 25g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260504 500g In stock Shanghai Inquiry
Batchno.20250520 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-191337
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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: 100g
  • 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 83558-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

83558-87-6 / 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol

Standard CAS: 83558-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83558-87-6
Multi CAS
No
Molecular Formula
C15F6H12N2O2
Molecular Weight
366.260000
Exact Mass
366.080297
InChI
InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
InChIKey
MSTZGVRUOMBULC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
77.93
TPSA
92.5

LogP / Solubility

WLOGP
3.67
MLOGP
3.25
XLogP3
3.8
Consensus LogP
3.57
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

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
Yes
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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