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CAS 321859-11-4 ZNAF-2 molecular structure lightbox
CAS RN: 321859-11-4

ZNAF-2

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Batchno.20250112 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS321859-11-4
  • Purity/Analytical Methods: >99.0%
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321859-11-4 / 4-[2-[bis(pyridin-2-ylmethyl)amino]ethylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Standard CAS: 321859-11-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321859-11-4
Multi CAS
Yes
Molecular Formula
C34H28N4O5
Molecular Weight
572.600000
Exact Mass
572.205970
InChI
InChI=1S/C34H28N4O5/c39-25-8-11-28-31(18-25)43-32-19-26(40)9-12-29(32)33(28)30-17-22(7-10-27(30)34(41)42)37-15-16-38(20-23-5-1-3-13-35-23)21-24-6-2-4-14-36-24/h1-14,17-19,37,39H,15-16,20-21H2,(H,41,42)
InChIKey
CORIVNRIBACDOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
32
Fraction Csp3
0.12
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
3
Molar refractivity
164.24
TPSA
128.79

LogP / Solubility

WLOGP
5.87
MLOGP
5.21
XLogP3
1.1
Consensus LogP
4.06
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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