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CAS 753023-32-4 2,2-Bis(3-amino-4-hydroxyphenyl)adamantane molecular structure lightbox
CAS RN: 753023-32-4

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

  • Product code: SSC-184770
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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: 1g
  • 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 753023-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

753023-32-4 / 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-2-adamantyl]phenol

Standard CAS: 753023-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
753023-32-4
Multi CAS
No
Molecular Formula
C22H26N2O2
Molecular Weight
350.500000
Exact Mass
350.199428
InChI
InChI=1S/C22H26N2O2/c23-18-10-14(1-3-20(18)25)22(15-2-4-21(26)19(24)11-15)16-6-12-5-13(8-16)9-17(22)7-12/h1-4,10-13,16-17,25-26H,5-9,23-24H2
InChIKey
KFYFUBUELUHIJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
102.86
TPSA
92.5

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
4.6
Consensus LogP
4.05
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-2.01

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
8

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